SCHEMBL13650520

SCHEMBL13650520

CCC(C)(C)c1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP3A4 P08684 3/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL779789 0.84 MAPK1 (0.52) MAPK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12116527 0.84 CNR2 (0.50) MAPK1TSHRCYP3A4CASP1RECQL
SCHEMBL13019391 0.83 TSHR (0.52) MAPK1TSHRCYP3A4CASP1RECQL
Water SCHEMBL27961448 0.82 MAPK1 (0.50) MAPK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31481103 0.82 TSHR (0.50) MAPK1TSHRMAPTCYP3A4CASP1
SCHEMBL18752791 0.82 MAPK1 (0.50) MAPK1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL18977036 0.80 TSHR (0.48) MAPK1TSHRNPC1RAB9AMAPT
SCHEMBL14196688 0.80 TSHR (0.48) MAPK1TSHRNPC1RAB9AMAPT
SCHEMBL19362870 0.79 MAPK1 (0.44) MAPK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22096343 0.79 MAPK1 (0.47) MAPK1TSHRNPC1RAB9AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428075-B2 Coelenterazine analogues PROMEGA CORPORATION (US) 2019-10-01 US disclosed
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 US disclosed
EP-2692796-A1 COMPOSITION Sumitomo Chemical Co., Ltd (JP) 2014-02-05 EP disclosed
EP-2693508-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 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-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 MAPK1 241/4885TSHR 4116/4885NPC1 4014/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 MAPK1 241/4885TSHR 4116/4885NPC1 4014/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 MAPK1 833/4885TSHR 415/4885NPC1 3431/4885
US-10428075-B2 Coelenterazine analogues GLB1, SI, TCF7L2 MAPK1 4850/4885TSHR 2341/4885NPC1 1085/4885

“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.