SCHEMBL12480535

SCHEMBL12480535

COc1ccc(CN2C[C@H](C)c3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SIGMAR1 Q99720 2/20 0.37
HPGD P15428 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH2 P25021 1/20 0.36
ALOX15 P16050 1/20 0.36
CMA1 P23946 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
DCTPP1 Q9H773 1/20 0.36

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
SCHEMBL12480241 1.00 GRM2 (0.43) GRM2MMP1MMP13MAPTGAA
SCHEMBL12480539 1.00 GRM2 (0.43) GRM2MMP1MMP13MAPTGAA
SCHEMBL2800737 0.82 SMN1; SMN2 (0.48) GRM2MMP1MMP13GAAKMT2A
SCHEMBL27810603 0.79 GRM2 (0.42) GRM2MMP1MMP13MAPTGAA
SCHEMBL12480983 0.75 GAA (0.49) MAPTGAAKDM4EKMT2AALDH1A1
SCHEMBL12481865 0.74 GAA (0.42) GRM2MAPTGAAKDM4EKMT2A
SCHEMBL15333789 0.73 GAA (0.41) MAPTGAAKDM4EKMT2AALDH1A1
SCHEMBL3799855 0.73 NPSR1 (0.44) GRM2MMP1MMP13MAPTGAA
SCHEMBL15333639 0.72 ALK (0.51) MAPT
SCHEMBL31715206 0.68 AURKA (0.52) GRM2GAAKDM4EALDH1A1LMNA

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 9 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
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

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 GRM2 1095/4885MMP1 3576/4885MMP13 2789/4885

“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.