SCHEMBL3781001

SCHEMBL3781001

O=CCCn1ncc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.59
CYP1A2 P05177 1/20 0.57
RECQL P46063 2/20 0.53
DAO P14920 1/20 0.50
P2RX7 Q99572 1/20 0.44
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ADRA2A P08913 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL29955181 1.00 KMO (0.59) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL29328565 0.90 KMO (0.56) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL29796402 0.82 RECQL (0.56) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL27997802 0.78 RECQL (0.65) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL6006431 0.78 RECQL (0.51) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL8246198 0.78 KMO (0.63) KMOCYP1A2ADRA2ASMN1; SMN2ALDH1A1
SCHEMBL731073 0.77 CYP1A2 (0.62) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL31429458 0.77 KMO (0.65) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL5565705 0.77 CYP1A2 (0.62) KMOCYP1A2RECQLDAOP2RX7
SCHEMBL20083661 0.77 CYP1A2 (0.62) KMOCYP1A2RECQLDAOP2RX7

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-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
US-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 US disclosed
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 US disclosed
EP-1362047-B1 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-05-17 EP disclosed
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 US disclosed
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2004-12-23 US disclosed
CN-1489586-A Indazolyl-substituted pyrroline compounds as kinase inhibitor ����-������ҩƷ��˾ 2004-04-14 CN disclosed
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 US 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-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 KMO 1272/4885CYP1A2 4254/4885RECQL 2363/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KMO 898/4885CYP1A2 3809/4885RECQL 2307/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KMO 898/4885CYP1A2 3809/4885RECQL 2307/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 KMO 1272/4885CYP1A2 4254/4885RECQL 2363/4885

“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.