SCHEMBL451880

SCHEMBL451880

O=C(O)c1cc(-c2ccc(F)cc2)c2nnc(-c3ccccn3)n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.45
DCTPP1 Q9H773 1/20 0.44
TGFBR1 P36897 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
KDM4C Q9H3R0 3/20 0.40
KDM4A O75164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL454669 0.85 SQOR (0.41) TACR3DCTPP1ALDH1A1CYP1A2CYP2D6
SCHEMBL451640 0.74 DGAT2 (0.48) TACR3CYP2C9
SCHEMBL2263082 0.70 POLB (0.47) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3208897 0.66 KDM4C (0.54) TGFBR1KDM4CKDM4AKDM4EKDM6B
SCHEMBL2365571 0.66 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19NPC1RAB9A
SCHEMBL13117437 0.65 KDM4C (0.59) TGFBR1KDM4CKDM4AKDM4EKDM6B
SCHEMBL18311301 0.65 KAT6A (0.62) TGFBR1KDM4CKDM4AKDM4EKDM6B
SCHEMBL476531 0.65 ABL1 (0.41) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL28345844 0.65 KDM4E (0.54) TGFBR1KDM4CKDM4AKDM4EKDM6B
SCHEMBL452183 0.65 TACR3 (0.40) TACR3DCTPP1ALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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 (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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 TACR3 87/4885DCTPP1 1141/4885TGFBR1 1182/4885

“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.