SCHEMBL3523394

SCHEMBL3523394

O=C(NNc1ncc(C(F)(F)F)cc1Cl)N1C=CC(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 15/20 0.49
GAA P10253 11/20 0.49
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 9/20 0.43
NOD2 Q9HC29 1/20 0.43
AGTR1 P30556 5/20 0.43
TDP1 Q9NUW8 3/20 0.42
RAB9A P51151 2/20 0.42
GALR3 O60755 1/20 0.42
LMNA P02545 6/20 0.41
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
MC4R P32245 1/20 0.41

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
SCHEMBL3524480 0.76 PLA2G1B (0.47) MEN1KMT2AGAATDP1RAB9A
SCHEMBL4482464 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL3520643 0.72 ALDH1A1 (0.48) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL3524680 0.70 CACNA1G (0.42) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL3522563 0.70 MEN1 (0.48) MAPTMEN1KMT2APOLBTDP1
SCHEMBL3523595 0.69 ALDH1A1 (0.42) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3525261 0.66 P2RX4 (0.42) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL6471331 0.66 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4537567 0.66 MAPT (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542493 0.66 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 SMN1; SMN2 912/4885MAPT 2576/4885MEN1 3915/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 SMN1; SMN2 746/4885MAPT 3038/4885MEN1 4074/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 SMN1; SMN2 912/4885MAPT 2576/4885MEN1 3915/4885

“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.