SCHEMBL170768

SCHEMBL170768

O=c1cnc2[c]cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KDM4E B2RXH2 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL170542 0.70 MAPKAPK2 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL29396007 0.68 ALDH1A1 (0.59) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL37862 0.68 ALDH1A1 (0.59) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL22950 0.68
SCHEMBL16740702 0.68 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL3281338 0.68 PLAUR (0.54) ALDH1A1CYP1A2TNKS2KDM4EGRIN2D
SCHEMBL331972 0.67 CA12 (0.47) ALDH1A1CA12CA1CA3CA4
Bromide SCHEMBL7758533 0.67 ALDH1A1 (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL11129386 0.67 ALDH1A1 (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
Hydrochloric Acid SCHEMBL20597399 0.67 ALDH1A1 (0.57) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 364 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 US claimed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US claimed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP claimed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO claimed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US claimed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
US-20240197700-A1 Methods and Compositions for Treating Lysosomal Storage Disorders HEALTH, SANFORD 2024-06-20 US disclosed
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
US-20240182503-A1 MACROCYCLE COMPLEMENT FACTOR B INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2024-06-06 US disclosed
US-20240174684-A1 INHIBITORS OF cGAS ACTIVITY AS THERAPEUTIC AGENTS BELLBROOK LABS, LLC 2024-05-30 US disclosed
EP-4370113-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS Avanti Biosciences Inc. (US) 2024-05-22 EP disclosed
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS DUKE UNIVERSITY (US) 2024-05-09 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 MAPKAPK2 1206/4885RPS6KA3 2643/4885CSNK2A1 4211/4885
US-20240174684-A1 INHIBITORS OF cGAS ACTIVITY AS THERAPEUTIC AGENTS CGAS, STING1, IRF3 MAPKAPK2 1282/4885RPS6KA3 1001/4885CSNK2A1 239/4885
US-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF ALK, ALKBH5, ALKBH3 MAPKAPK2 1593/4885RPS6KA3 4693/4885CSNK2A1 3698/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 MAPKAPK2 831/4885RPS6KA3 633/4885CSNK2A1 1348/4885
US-20240182503-A1 MACROCYCLE COMPLEMENT FACTOR B INHIBITORS CFB, CFH, C9 MAPKAPK2 840/4885RPS6KA3 1101/4885CSNK2A1 2095/4885
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 MAPKAPK2 1225/4885RPS6KA3 2966/4885CSNK2A1 4202/4885
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 MAPKAPK2 1394/4885RPS6KA3 3213/4885CSNK2A1 3002/4885
US-20240197700-A1 Methods and Compositions for Treating Lysosomal Storage Disorders GAA, GBA1, MAN2B1 MAPKAPK2 2893/4885RPS6KA3 1138/4885CSNK2A1 1134/4885
US-20240148716-A1 COMPOSITIONS AND METHODS FOR ADJUVANT CANCER THERAPEUTICS TP53, PLK1, NRAS MAPKAPK2 877/4885RPS6KA3 395/4885CSNK2A1 1066/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.