SCHEMBL984529

SCHEMBL984529

CCCOc1cccc(C2OC=CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
FPR2 P25090 1/20 0.41
TSHR P16473 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL984461 0.92 TSHR (0.46) KMT2ATSHRGPBAR1CYSLTR1CA12
SCHEMBL984346 0.87 TP53 (0.49) TSHRKDM4ELMNAMAPTCYP1A2
SCHEMBL981631 0.86 ALDH1A1 (0.40) TSHRKDM4ENPSR1CYP1A2CYP2C19
SCHEMBL1276651 0.86 TSHR (0.41) KMT2ATSHRKDM4ELMNAMEN1
SCHEMBL5346832 0.85 SMN1; SMN2 (0.39) KMT2ATSHRLMNAALDH1A1TP53
SCHEMBL5725738 0.84 SMN1; SMN2 (0.38) TSHRKDM4EMAPTALDH1A1TP53
SCHEMBL3078804 0.83 TSHR (0.40) TSHRMAPTALDH1A1TP53CYP3A4
SCHEMBL767828 0.81 CYP3A4 (0.39) TSHRCYP2C19ALDH1A1TP53CYP3A4
SCHEMBL31483383 0.78 KMT2A (0.44) KMT2AFPR2KDM4ELMNACA12
SCHEMBL746723 0.78 HTR2C (0.49) KMT2AKDM4ELMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KMT2A 2975/4885FPR2 2573/4885TSHR 3033/4885

“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.