SCHEMBL4158865

SCHEMBL4158865

O=C(O)Cc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
HTT P42858 1/20 0.53
RXRA P19793 7/20 0.43
RXRG P48443 7/20 0.43
RXRB P28702 6/20 0.43
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40

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
SCHEMBL27808224 0.84 FFAR1 (0.56) RXRARXRGRXRBCA2FFAR1
SCHEMBL3730365 0.82 GRIN2D (0.47) ABCC4LMNAGAATSHRPTGS1
SCHEMBL3668234 0.81 FFAR1 (0.37) CA2FFAR1ALDH1A1
SCHEMBL3662222 0.80 MKNK1 (0.53) TSHR
SCHEMBL4150523 0.79 LTA4H (0.38)
SCHEMBL3662196 0.79 S1PR1 (0.44) FFAR1ALDH1A1
SCHEMBL5148966 0.78 ABCC4 (0.62) ABCC4LMNAGAATSHRPTGS1
SCHEMBL3724941 0.77 KDM4A (0.40) TSHR
SCHEMBL18427891 0.76 LMNA (0.86) ABCC4LMNAGAATSHRPTGS1
SCHEMBL68027 0.76 LMNA (0.86) ABCC4LMNAGAATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 ABCC4 445/4885LMNA 2708/4885GAA 2621/4885

“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.