SCHEMBL984461

SCHEMBL984461

CCCCOc1cccc(C2OC=CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTA4H P09960 2/20 0.45
PLA2G4B P0C869 3/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 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
SCHEMBL1276651 0.93 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL984529 0.92 KMT2A (0.46) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL984346 0.85 TP53 (0.49) TSHRCYP1A2CYP2C19LTA4HTHRB
SCHEMBL3078804 0.84 TSHR (0.40) TSHRSMN1; SMN2
SCHEMBL981631 0.84 ALDH1A1 (0.40) TSHRCYP1A2CYP2C19SMN1; SMN2
SCHEMBL5346832 0.84 SMN1; SMN2 (0.39) TSHRKMT2ASMN1; SMN2
SCHEMBL5725738 0.83 SMN1; SMN2 (0.38) TSHRSMN1; SMN2
SCHEMBL767828 0.79 CYP3A4 (0.39) TSHRCYP2C19SMN1; SMN2
SCHEMBL31483358 0.79 CA12 (0.42) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL3298872 0.78 NR5A1 (0.54) TSHRLTA4HPLA2G4B

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 TSHR 3033/4885CYP1A2 142/4885CYP19A1 381/4885

“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.