SCHEMBL3785953

SCHEMBL3785953

NCCCn1nc(C2=C(c3cn(-c4csc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 1.00
PRKCG P05129 12/20 0.80
PRKCB P05771 12/20 0.80
PRKCA P17252 12/20 0.80
GSK3B P49841 12/20 0.80
PRKCD Q05655 6/20 0.80
CAMK2D Q13557 6/20 0.59
KCNH2 Q12809 7/20 0.56
PRKCZ Q05513 3/20 0.53
PIM1 P11309 1/20 0.46

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
SCHEMBL19751910 0.91 KISS1R (0.83) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL5754471 0.90 KISS1R (0.82) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL5758093 0.89 KISS1R (0.81) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL3773926 0.89 PRKCA (1.00) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL5758656 0.88 PRKCA (0.95) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL13580118 0.88 KISS1R (0.78) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL5793514 0.87 PRKCA (0.90) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL5753669 0.84 KISS1R (0.72) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL27502356 0.82 KISS1R (0.70) KISS1RPRKCGPRKCBPRKCAGSK3B
SCHEMBL3780370 0.80 GSK3B (0.79) KISS1RPRKCGPRKCBPRKCAGSK3B

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 17 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-7855203-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-12-21 US 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-20080096949-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. 2008-04-24 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-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 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
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 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
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 KISS1R 3513/4885PRKCG 120/4885PRKCB 40/4885
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KISS1R 3340/4885PRKCG 163/4885PRKCB 51/4885
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 KISS1R 3340/4885PRKCG 163/4885PRKCB 51/4885
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 KISS1R 3513/4885PRKCG 120/4885PRKCB 40/4885

“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.