SCHEMBL989750

SCHEMBL989750

CC(C)CNc1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.60
TRPC3 Q13507 1/20 0.60
TRPC4 Q9UBN4 1/20 0.60
TRPC5 Q9UL62 1/20 0.60
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 1/20 0.59
RIPK1 Q13546 1/20 0.57
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.50
PKM P14618 2/20 0.50
BACE1 P56817 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL991498 0.91 ALOX12 (0.53) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL30175772 0.87 BCHE (0.57) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL28983300 0.87 BCHE (0.57) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL28983301 0.87 BCHE (0.57) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL3541921 0.82 RAB9A (0.62) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL14025138 0.81 BCHE (0.71) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL12472842 0.81 BCHE (0.71) BCHETRPC3TRPC4TRPC5RAB9A
Hydrochloric Acid SCHEMBL27647756 0.79 BCHE (0.69) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL15360239 0.79 BCHE (0.52) BCHETRPC3TRPC4TRPC5RAB9A
SCHEMBL5984336 0.78 RIPK1 (0.62) RAB9ASMN1; SMN2TP53RIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114539-B Process for the stereoselective preparation of pyrazole carboxamides 先正达参股股份有限公司 2016-10-12 CN disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (2 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 BCHE 4475/4885TRPC3 3124/4885TRPC4 4066/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E BCHE 3897/4885TRPC3 4752/4885TRPC4 4833/4885

“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.