SCHEMBL12979

SCHEMBL12979

Cc1cccc(C(=O)Nc2cccnc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.79
CSF1R P07333 1/20 0.76
NAMPT P43490 3/20 0.71
NT5E P21589 1/20 0.71
KCNK3 O14649 3/20 0.70
KCNK9 Q9NPC2 3/20 0.70
LMNA P02545 3/20 0.69
KCNH2 Q12809 1/20 0.69
HIF1A Q16665 1/20 0.69
ALDH1A1 P00352 1/20 0.69
NPC1 O15118 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
RXFP1 Q9HBX9 1/20 0.65
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.64
GALR2 O43603 1/20 0.63
HPGD P15428 1/20 0.63
RECQL P46063 1/20 0.63

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
SCHEMBL31661935 1.00 BRAF (0.79) BRAFCSF1RNAMPTNT5EKCNK3
SCHEMBL12411961 0.91 BRAF (0.71) BRAFCSF1RNAMPTNT5EKCNK3
SCHEMBL30533390 0.89 LMNA (0.81) NAMPTKCNK3LMNAHIF1AALDH1A1
SCHEMBL3937779 0.89 BRAF (1.00) BRAFCSF1RKCNK3KCNK9
SCHEMBL259177 0.88 TDP1 (0.78) BRAFCSF1RNAMPTKCNK3KCNK9
SCHEMBL3935559 0.87 BRAF (0.80) BRAFCSF1RKCNK3KCNK9
SCHEMBL3941840 0.87 CSF1R (1.00) BRAFCSF1RKCNK3KCNK9NPC1
SCHEMBL790322 0.85 NAMPT (0.71) BRAFCSF1RNAMPTLMNAHIF1A
SCHEMBL14210406 0.85 SIRT2 (0.72) BRAFCSF1RNAMPTLMNAHIF1A
SCHEMBL19662798 0.85 NT5E (0.70) BRAFCSF1RNT5EKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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 (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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D BRAF 4097/4885CSF1R 949/4885NAMPT 2446/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS BRAF 1296/4885CSF1R 4775/4885NAMPT 169/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS BRAF 1296/4885CSF1R 4775/4885NAMPT 169/4885

“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.