SCHEMBL12426147

SCHEMBL12426147

CCc1noc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.53
PRKD3 O94806 1/20 0.53
PRKD1 Q15139 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
SLC26A6 Q9BXS9 4/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL12426139 0.87 TGFBR1 (0.56) TGFBR1PRKD3PRKD1PRKD2TUBB4A
SCHEMBL12426138 0.83 TGFBR1 (0.53) TGFBR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12426134 0.76 TDP1 (0.43) TGFBR1PRKD3PRKD1PRKD2SLC26A6
SCHEMBL12426149 0.72 TDP1 (0.46) TGFBR1PRKD3PRKD1PRKD2SLC26A6
SCHEMBL8345684 0.71 TGFBR1 (0.63) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL8346584 0.70 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL14504469 0.70 TDP1 (0.43) TGFBR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29381400 0.70 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL29361383 0.70 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL411646 0.70 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2CYP1A2

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-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 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-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP TGFBR1 3900/4885PRKD3 3048/4885PRKD1 2510/4885

“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.