SCHEMBL13322388

SCHEMBL13322388

CC(C)c1cncc(C(=O)N2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.52
▸ HSP90AB1 P08238 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP11B2 P19099 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CTSA P10619 1/20 0.45
▸ AR P10275 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ PHGDH O43175 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL13086636 0.92 CTSA (0.53) HSP90AA1HSP90AB1SMN1; SMN2MGLLALDH1A1
SCHEMBL18368364 0.87 KMT2A (0.54) SMN1; SMN2MGLLALDH1A1HPGDL3MBTL1
SCHEMBL14200335 0.83 HSP90AA1 (0.58) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12104580 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL16131141 0.79 ALDH1A1 (0.51) SMN1; SMN2MGLLALDH1A1KMT2AKDM4E
SCHEMBL13466398 0.79 ALDH1A1 (0.64) SMN1; SMN2MGLLALDH1A1KMT2AKDM4E
SCHEMBL104536 0.78 L3MBTL1 (0.62) HSP90AA1HSP90AB1ALDH1A1HPGDL3MBTL1
SCHEMBL12546097 0.78 HSP90AA1 (0.53) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1558959 0.78 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL19682609 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDL3MBTL1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021213317-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 微境生物医药科技(上海)有限公司 (CN) 2021-10-28 — — WO disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 — — US disclosed
US-9126948-B2 Pyrimidine-4,6-diamine derivatives as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-09-08 — — US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-02-27 — — US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 — — US disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 — — US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 — — US disclosed
WO-2009050228-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES NOVARTIS AG (CH) 2009-04-23 — — WO 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 (4 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 HSP90AA1 861/4885HSP90AB1 476/4885SMN1; SMN2 3119/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 HSP90AA1 3529/4885HSP90AB1 2901/4885SMN1; SMN2 2338/4885
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO HSP90AA1 425/4885HSP90AB1 474/4885SMN1; SMN2 3985/4885
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HSP90AA1 2673/4885HSP90AB1 2180/4885SMN1; SMN2 4077/4885

“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.

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