SCHEMBL85361

SCHEMBL85361

CC(C)(C)C(C)(C)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CHRM2 P08172 2/20 0.41
KDM4E B2RXH2 3/20 0.40
BLM P54132 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
METAP1 P53582 1/20 0.40
HIF1A Q16665 1/20 0.40
DOHH Q9BU89 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
AHR P35869 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL18542905 0.86 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL3718198 0.82 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL30020222 0.82 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL12040028 0.81 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL13330619 0.80 CHRM2 (0.49) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL29080 0.80 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL31645911 0.80 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL28883610 0.80 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL29349628 0.80 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM
SCHEMBL10356935 0.80 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2KDM4EBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151012-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2023-05-18 US disclosed
US-20230151012-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2023-05-18 US disclosed
US-20180162861-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-06-14 US disclosed
US-9688676-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2017-06-27 US disclosed
US-20170129890-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2017-05-11 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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 (5 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SMN1; SMN2 1758/4885L3MBTL1 3238/4885CHRM2 930/4885
US-20180162861-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK SMN1; SMN2 4412/4885L3MBTL1 3576/4885CHRM2 4799/4885
US-20170129890-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK SMN1; SMN2 4412/4885L3MBTL1 3576/4885CHRM2 4799/4885
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B SMN1; SMN2 3749/4885L3MBTL1 2335/4885CHRM2 226/4885
US-20230151012-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK SMN1; SMN2 4412/4885L3MBTL1 3576/4885CHRM2 4799/4885

“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.