SCHEMBL12480931

SCHEMBL12480931

CS(=O)(=O)OCCc1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL29840027 0.83 GLP1R (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL21996589 0.82 GLP1R (0.35) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2797476 0.80 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4946961 0.79 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1287724 0.73 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4857267 0.70 TAAR1 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11046462 0.70 ALDH1A1 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16935055 0.69 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL21855356 0.68 KDM4E (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL19787511 0.68 ALDH1A1 (0.37) ALDH1A1LMNAALOX15TSHR

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
EP-2661437-B1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2018-11-07 EP disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
CN-103476776-A 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO LTD 2013-12-25 CN disclosed
EP-2661437-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS Centaurus Biopharma Co., Ltd. (CN) 2013-11-13 EP disclosed
US-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-10-24 US disclosed
US-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-10-24 US disclosed
US-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-10-24 US disclosed
WO-2012092880-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2012-07-12 WO disclosed
CN-102093364-A 2,4-diamido-6,7-dihydro-5H-pyrrolo [2,3] pyrimidine derivative as focal adhesion kinase/pyruvate kinase 2 (FAK/Pyk2) inhibitor BEIJING SAILINTAI PHARMACEUTICAL TECHNOLOGY CO LTD 2011-06-15 CN 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 (1 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-20130281438-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS PTK2B, PTK2, DAPK2 KDM4E 2548/4885USP2 3528/4885ALDH1A1 4337/4885

“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.