SCHEMBL3229243

SCHEMBL3229243

CCOC(=O)c1cnc(-c2cccc(F)c2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.62
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
ATM Q13315 1/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 5/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 2/20 0.53
HPGDS O60760 1/20 0.52
TSHR P16473 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52

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
SCHEMBL22573920 0.89 CSNK1D (0.61) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL22573712 0.88 CSNK1D (0.60) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL13406316 0.88 ALDH1A1 (0.60) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL12929467 0.86 ALDH1A1 (0.75) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5014336 0.85 FOS (0.60) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL3572484 0.84 ALDH1A1 (0.78) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3213900 0.83 HPGDS (0.54) CSNK1DALDH1A1SMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL3222314 0.82 HPGDS (0.53) CSNK1DALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3222305 0.82 HPGDS (0.53) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3823018 0.81 ALDH1A1 (0.57) CSNK1DALDH1A1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S CSNK1D 879/4885ALDH1A1 871/4885SMN1; SMN2 4671/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 CSNK1D 1144/4885ALDH1A1 298/4885SMN1; SMN2 4832/4885

“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.