SCHEMBL3533360

SCHEMBL3533360

CN1CCN(c2ccc(C(=O)O)cc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
ERAP1 Q9NZ08 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ASIC3 Q9UHC3 1/20 0.48
XPO1 O14980 2/20 0.47
RBP4 P02753 1/20 0.47
RAF1 P04049 1/20 0.47
NTRK1 P04629 1/20 0.47
BRAF P15056 1/20 0.47
DDR1 Q08345 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NR4A1 P22736 1/20 0.47
SERPINE1 P05121 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46

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
Hydrochloric Acid SCHEMBL4285100 0.99 TTR (0.57) TTRERAP1KDM4EHSD17B10ALDH1A1
SCHEMBL16380654 0.87 KDM4E (0.66) TTRKDM4EHSD17B10ALDH1A1ASIC3
SCHEMBL31003567 0.87 KDM4E (0.48) TTRKDM4EHSD17B10ALDH1A1ASIC3
SCHEMBL3526351 0.87 TTR (0.59) TTRERAP1KDM4EHSD17B10POLB
SCHEMBL28000110 0.86 TTR (0.59) TTRKDM4EHSD17B10XPO1RBP4
SCHEMBL2776207 0.85 KDM4E (0.61) TTRERAP1KDM4EHSD17B10POLB
SCHEMBL3643489 0.85 KDM4E (0.61) TTRERAP1KDM4EHSD17B10POLB
SCHEMBL4278043 0.85 WDR5 (0.52) KDM4EALDH1A1RBP4RAF1NTRK1
SCHEMBL20578110 0.84 GAA (0.67) TTRKDM4EHSD17B10ALDH1A1RBP4
SCHEMBL20577940 0.83 TTR (0.55) TTRKDM4EHSD17B10XPO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407745-B2 Indazole derivatives and pharmaceutical composition for preventing, alleviating or treating cancer containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-08-09 US disclosed
US-20200392127-A1 NOVEL INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING CANCER CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-17 US disclosed
US-20200392127-A1 NOVEL INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING CANCER CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-17 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 TTR 4867/4885ERAP1 3913/4885KDM4E 1694/4885
US-20200392127-A1 NOVEL INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING CANCER CONTAINING THE SAME ABL1, DDR1, ABL2 TTR 2986/4885ERAP1 4833/4885KDM4E 2426/4885
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD TTR 3121/4885ERAP1 1812/4885KDM4E 2764/4885
US-11407745-B2 Indazole derivatives and pharmaceutical composition for preventing, alleviating or treating cancer containing the same ABL1, DDR1, ABL2 TTR 2655/4885ERAP1 4839/4885KDM4E 2514/4885

“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.