SCHEMBL147097

SCHEMBL147097

O=c1[nH]c(OC(F)(F)F)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
TNKS2 Q9H2K2 7/20 0.51
PARP1 P09874 3/20 0.51
QTRT1 Q9BXR0 1/20 0.51
TNKS O95271 5/20 0.51
WNT3A P56704 1/20 0.51
KMT2A Q03164 1/20 0.50
PARP2 Q9UGN5 1/20 0.48
MGLL Q99685 2/20 0.47
KDM4C Q9H3R0 1/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL148952 0.78 TNKS2 (0.61) PKMTNKS2PARP1QTRT1TNKS
SCHEMBL31070299 0.78 TNKS2 (0.61) PKMTNKS2PARP1QTRT1TNKS
SCHEMBL30311612 0.77 TNKS (0.69) TNKS2PARP1TNKSWNT3APARP2
SCHEMBL11286913 0.77 TNKS (0.69) TNKS2PARP1TNKSWNT3APARP2
Hydrochloric Acid SCHEMBL15709417 0.77 TNKS2 (0.59) TNKS2PARP1QTRT1TNKSRAB9A
SCHEMBL3423975 0.76 NPSR1 (0.55) PKMKMT2ARAB9AMAPTALDH1A1
SCHEMBL3118169 0.75 PKM (1.00) PKMTNKS2PARP1QTRT1TNKS
SCHEMBL30388114 0.75 PKM (1.00) PKMTNKS2PARP1QTRT1TNKS
SCHEMBL11290144 0.74 TNKS (0.61) TNKS2PARP1TNKSWNT3APARP2
SCHEMBL6473755 0.73 KDM4C (0.75) TNKS2PARP1QTRT1TNKSKMT2A

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
CN-105829285-A Quinazolinone and isoquinolinone derivatives 中外制药株式会社 2016-08-03 CN disclosed
US-8362065-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-8084620-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-27 US disclosed
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
WO-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 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 (2 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-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 PKM 1189/4885TNKS2 504/4885PARP1 785/4885
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 PKM 1189/4885TNKS2 504/4885PARP1 785/4885

“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.