Sugi Predict

Sugi Predict / Compounds / SCHEMBL3519752

SCHEMBL3519752

SCHEMBL3519752

O=C(NN1C=C(C(F)(F)F)C(=O)N(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ HPGD P15428 3/20 0.38
▸ P2RX7 Q99572 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL4476862 0.67 ALDH1A1 (0.48) KMT2AMEN1LMNAXBP1SMN1; SMN2
SCHEMBL3523577 0.64 ALDH1A1 (0.49) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL3527717 0.61 KDR (0.45) KMT2AMEN1LMNAXBP1SMN1; SMN2
SCHEMBL3520643 0.61 ALDH1A1 (0.48) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL3147754 0.61 KDM4E (0.68) RAB9AHPGDKDM4EALDH1A1NPC1
SCHEMBL883798 0.58 HPGD (0.61) RAB9AHPGDNPC1
SCHEMBL30500089 0.58 RIPK1 (0.53) RAB9AHPGDNPC1
SCHEMBL4513935 0.58 CYP2D6 (0.53) KMT2ARAB9ACYP2D6P2RX7KDM4E
SCHEMBL883797 0.58 NPC1 (0.59) LMNARAB9AHPGDKDM4ENPC1
SCHEMBL6417292 0.58 POLB (0.66) RAB9AHPGDNPC1POLB

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 7 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
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 — — EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 — — US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 — — 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 (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 KMT2A 3940/4885MEN1 3915/4885LMNA 3164/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 KMT2A 4243/4885MEN1 4074/4885LMNA 3198/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 KMT2A 3940/4885MEN1 3915/4885LMNA 3164/4885

“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.