SCHEMBL3779522

SCHEMBL3779522

[c]1nn(CCCN2CCOCC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR7 P34969 2/20 0.45
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM1A O60341 2/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.42
CNR2 P34972 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
SCHEMBL10369201 0.74 HTR7 (0.47) POLBSIGMAR1HTR7KDM4EGAA
SCHEMBL17956232 0.73 POLB (0.48) POLBSIGMAR1HTR7KDM4EGAA
SCHEMBL3801864 0.73 SLC9A1 (0.51) CNR2
SCHEMBL13305275 0.73 DRD3 (0.68) POLBSIGMAR1HTR7KDM4EALDH1A1
SCHEMBL570412 0.71 TDO2 (0.39) POLBKDM4EGAAALDH1A1HPGD
SCHEMBL13305296 0.70 DRD3 (0.63) POLBSIGMAR1HTR7KDM4ETSHR
SCHEMBL18010357 0.69 HTR7 (0.64) POLBSIGMAR1HTR7KDM4ETSHR
SCHEMBL4851848 0.69 KDM4E (0.46) HTR7KDM4EGAAALDH1A1HPGD
SCHEMBL5659685 0.68 POLB (0.44) POLBSIGMAR1HTR7KDM4EALDH1A1
SCHEMBL6752422 0.68 POLB (0.48) POLBSIGMAR1HTR7KDM4EGAA

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
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
EP-1362047-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-11-19 EP disclosed
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 US disclosed
WO-2002046183-A2 INDAZOLYL-SUBSTITUTED PYRROLINE COMPOUNDS AS KINASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 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-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 POLB 1452/4885SIGMAR1 3881/4885HTR7 3837/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 POLB 1496/4885SIGMAR1 3880/4885HTR7 3701/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 POLB 1496/4885SIGMAR1 3880/4885HTR7 3701/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 POLB 1452/4885SIGMAR1 3881/4885HTR7 3837/4885

“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.