SCHEMBL104974

SCHEMBL104974

CC(C)NCc1cn(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
MTOR P42345 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ADRA2C P18825 2/20 0.38
OGA O60502 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
LTA4H P09960 1/20 0.35
HPGDS O60760 1/20 0.34
LMNA P02545 1/20 0.33
PDE1A P54750 6/20 0.33

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
SCHEMBL24127755 0.81 HRH4 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL30894898 0.79 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1487974 0.78
SCHEMBL16869828 0.76
SCHEMBL1487971 0.76
SCHEMBL20747248 0.76
SCHEMBL13100180 0.74 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12257137 0.74 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL16750102 0.74 HPGDS (0.44) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1913017 0.74 CYP2C9 (0.53) CYP2C9TSHRCYP2C19MTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-9416111-B2 Substituted diazine and triazine spleen tyrosine kinease (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS MERCK SHARP & DOHME LLC 2015-06-18 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CYP2C9 3302/4885TSHR 94/4885CYP2C19 3701/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 CYP2C9 2968/4885TSHR 1564/4885CYP2C19 2394/4885
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 CYP2C9 1755/4885TSHR 4309/4885CYP2C19 1236/4885
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS SYK, ZAP70, TYRO3 CYP2C9 2727/4885TSHR 543/4885CYP2C19 2510/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN CYP2C9 1133/4885TSHR 931/4885CYP2C19 964/4885

“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.