SCHEMBL3264269

SCHEMBL3264269

C=CCc1ncnc(CCCCC)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
KCNH2 Q12809 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
TSHR P16473 2/20 0.32
THRB P10828 5/20 0.32
THRA P10827 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4591162 0.85 KCNH2 (0.43) PI4KAPI4K2BPI4K2API4KBKCNH2
SCHEMBL2793062 0.83 KCNH2 (0.47) PI4KAPI4K2BPI4K2API4KBKCNH2
Ammonia Solution, Strong SCHEMBL29135408 0.81 KCNH2 (0.45) PI4KAPI4K2BPI4K2API4KBKCNH2
SCHEMBL5485611 0.81 CDC7 (0.30)
SCHEMBL7203347 0.79 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBKCNH2
SCHEMBL1542351 0.78 KCNH2 (0.42) PI4KAPI4K2BPI4K2API4KBKCNH2
SCHEMBL4850851 0.76 CRHR1 (0.32) PI4KAPI4K2BPI4K2API4KBKCNH2
SCHEMBL27349523 0.74 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBKCNH2
SCHEMBL28477825 0.73 DHFR (0.45)
SCHEMBL6017593 0.73 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
WO-2010057220-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-20 WO disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 US disclosed
US-4198429-A BRONCHOSPASMOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE PI4KA 1781/4885PI4K2B 1827/4885PI4K2A 2285/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE PI4KA 1781/4885PI4K2B 1827/4885PI4K2A 2285/4885

“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.