SCHEMBL4414517

SCHEMBL4414517

CSc1ncc2cc(-c3ccccc3Br)c(=O)[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIK2 Q9H0K1 1/20 0.39
MAPK14 Q16539 1/20 0.38
ABL1 P00519 1/20 0.35
AKT1 P31749 7/20 0.35
AKT2 P31751 7/20 0.35
MAOB P27338 1/20 0.34
NTRK1 P04629 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
WEE1 P30291 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL4138092 0.86 SIK2 (0.41) MEN1KMT2ASIK2AKT1AKT2
SCHEMBL29536534 0.85 SIK2 (0.47) MEN1KMT2ASIK2ABL1THRB
SCHEMBL14370847 0.85 SIK2 (0.47) MEN1KMT2ASIK2ABL1THRB
SCHEMBL4180912 0.85 MEN1 (0.40) MEN1KMT2ASIK2AKT1AKT2
SCHEMBL19817053 0.84 MEN1 (0.42) MEN1KMT2ASIK2MAOBMAPT
SCHEMBL20564939 0.83 MEN1 (0.51) MEN1KMT2ASIK2AKT1AKT2
SCHEMBL661610 0.81 MEN1 (0.38) MEN1KMT2ANTRK1MAPT
SCHEMBL29538008 0.81 MEN1 (0.38) MEN1KMT2ANTRK1MAPT
SCHEMBL16414767 0.80 SIK2 (0.48) MEN1KMT2ASIK2THRBMAPT
SCHEMBL29536805 0.80 SIK2 (0.48) MEN1KMT2ASIK2THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP disclosed
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP disclosed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US disclosed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US disclosed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US disclosed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US disclosed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 MEN1 3371/4885KMT2A 2552/4885SIK2 522/4885

“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.