SCHEMBL6014114

SCHEMBL6014114

Cc1nc2ccc(I)cc2c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.50
TYMS P04818 2/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 4/20 0.39
PARP1 P09874 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 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
SCHEMBL12177192 0.87 PARG (0.41) PARGTYMSPOLBKDM4EALDH1A1
SCHEMBL7602321 0.83 POLB (0.57) PARGPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL5712376 0.82 SMN1; SMN2 (0.40) PARGTYMSKDM4EPARP1TUBB4A
SCHEMBL23597983 0.82 TYMS (0.42) PARGTYMSPOLBKDM4EPARP1
SCHEMBL9919074 0.80 NPC1 (0.54) PARGKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12177185 0.80 PARG (0.50) PARGPOLBKDM4EALDH1A1HPGD
SCHEMBL9919073 0.80 CASP3 (0.54) PARGPOLBHPGDSMN1; SMN2LMNA
SCHEMBL9919072 0.80 POLB (0.55) PARGTYMSPOLBMEN1KMT2A
SCHEMBL9922242 0.78 PARG (0.48) PARGTYMSPOLBKDM4EALDH1A1
SCHEMBL9922682 0.78 KDM4E (0.54) PARGPOLBKDM4EALDH1A1HPGD

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-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
US-20060270849-A1 Process for producing pyrimidin-4-one compound UBE INDUSTRIES, LTD. (JP) 2006-11-30 US disclosed
CN-1835930-A Process for producing pyrimidin-4-one compound UBE INDUSTRIES (JP) 2006-09-20 CN disclosed
EP-1637523-A1 PROCESS FOR PRODUCING PYRIMIDIN-4-ONE COMPOUND Ube Industries, Ltd. (JP) 2006-03-22 EP 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 (3 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 PARG 2987/4885TYMS 2395/4885POLB 4500/4885
US-20060270849-A1 Process for producing pyrimidin-4-one compound DDC, ODC1, APRT PARG 1208/4885TYMS 6/4885POLB 438/4885
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK PARG 4807/4885TYMS 91/4885POLB 2538/4885

“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.