SCHEMBL12480562

SCHEMBL12480562

Nc1cccc2c1ccn2CCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
NOS3 P29474 6/20 0.43
NOS1 P29475 6/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOS2 P35228 3/20 0.43
P2RX7 Q99572 2/20 0.43
KDM1A O60341 1/20 0.43
CNR1 P21554 1/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
EGFR P00533 1/20 0.42
HTR7 P34969 2/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41

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
SCHEMBL1911860 0.84 P2RX7 (0.60) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL13806319 0.82 CNR2 (0.58) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL14671502 0.82 KDM1A (0.45) ALDH1A1P2RX7KDM1ASIGMAR1HTR7
SCHEMBL12597611 0.82 P2RX7 (0.44) CNR2P2RX7SIGMAR1
SCHEMBL20939240 0.81 NOS3 (0.44) NOS3NOS1NOS2SIGMAR1NFATC1
SCHEMBL14668210 0.79 P2RX7 (0.36) CNR2KDM4EALDH1A1P2RX7CNR1
SCHEMBL1986144 0.79 P2RX7 (0.42) CNR2P2RX7KDM1ASIGMAR1HTR7
SCHEMBL15334220 0.79 CYP1A2 (0.54) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL20945135 0.78 KMT2A (0.47) CNR2KDM4EALDH1A1GAAHPGD
SCHEMBL12597675 0.78 P2RX7 (0.37) CNR2KDM4EALDH1A1P2RX7CNR1

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 CNR2 3234/4885NOS3 4027/4885NOS1 4312/4885

“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.