SCHEMBL18960412

SCHEMBL18960412

CCOC(=O)CNc1nc2ccc(N)cc2n1Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 14/20 0.49
DRD2 P14416 1/20 0.44
TBXA2R P21731 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NOD2 Q9HC29 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NOD1 Q9Y239 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HRH4 Q9H3N8 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
SCHEMBL17487341 0.88 DRD2 (0.46) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17488099 0.88 P2RX3 (0.46) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17487667 0.82 DRD2 (0.43) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17487355 0.82 SMN1; SMN2 (0.44) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17487335 0.81 KDM4E (0.46) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17488303 0.77 SOS1 (0.43) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17487459 0.77 SOS1 (0.41) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17488001 0.77 SMN1; SMN2 (0.41) P2RX3DRD2TBXA2RKDM4EALDH1A1
SCHEMBL17487315 0.76 SOS1 (0.59) KDM4EALDH1A1NOD2SMN1; SMN2NOD1
SCHEMBL17488121 0.76 SMN1; SMN2 (0.44) P2RX3DRD2TBXA2RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 P2RX3 750/4885DRD2 2624/4885TBXA2R 18/4885

“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.