SCHEMBL14260486

SCHEMBL14260486

CN(Cc1ccccn1)C(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
SCD O00767 1/20 0.38
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
KCNA5 P22460 1/20 0.36
PARP1 P09874 1/20 0.36
CXCR3 P49682 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLAT P00750 1/20 0.34

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
SCHEMBL14260561 0.92 TACR1 (0.44) TACR1KMT2ACNR2CNR1LMNA
SCHEMBL14260546 0.91 POLB (0.39) TACR1KMT2APOLBTSHRSCD
SCHEMBL14260564 0.88 RAB9A (0.48) TACR1KMT2APOLBTSHRSCD
SCHEMBL4152020 0.88 CNR2 (0.40) TACR1KMT2ACNR2CNR1KDM4E
SCHEMBL14260523 0.88 TACR1 (0.42) TACR1KMT2ASCDCNR2CNR1
SCHEMBL4162884 0.87 TACR1 (0.38) TACR1KMT2APOLBTSHRSCD
SCHEMBL4708208 0.86 TACR1 (0.45) TACR1KMT2ACNR2CNR1KCNA5
SCHEMBL14260572 0.85 TACR1 (0.38) TACR1KMT2ACNR2CNR1KDM4E
SCHEMBL4923209 0.85 OPRM1 (0.42) TACR1KMT2ACNR2CNR1KDM4E
SCHEMBL14042962 0.85 CNR2 (0.38) TACR1KMT2APOLBTSHRSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 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 (1 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE TACR1 4752/4885KMT2A 1777/4885POLB 55/4885

“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.