SCHEMBL16273403

SCHEMBL16273403

CN[C@H]1CCC(c2ccnc(NC3CC3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.46
▸ HTR1A P08908 3/20 0.43
▸ MAPK8 P45983 4/20 0.42
▸ MAPK10 P53779 4/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CDK2 P24941 4/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ MAP2K7 O14733 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAP2K4 P45985 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ MAP2K6 P52564 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CDK4 P11802 4/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNA2 P20248 2/20 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
SCHEMBL16273407 0.78 IDH1 (0.44) HRH4CHRNA7
SCHEMBL27109892 0.75 CTSK (0.59) HRH4HTR1AMAPK8MAPK10CHRNA7
SCHEMBL24042813 0.74 SYK (0.40) MAPK9MAPK13MAPK12MAPK14
SCHEMBL91469 0.71 CTSK (0.49) HRH4MAPK8MAPK10CDK2MAPK9
SCHEMBL10156667 0.69 HRH4 (0.42) HRH4MAPK8MAPK10CTSKPAK1
SCHEMBL1588202 0.68 HRH4 (0.90) HRH4
SCHEMBL847341 0.68 HRH4 (0.90) HRH4
SCHEMBL847342 0.68 HRH4 (0.90) HRH4
SCHEMBL22256859 0.67 SYK (0.37) HTR1AMAPK8MAPK10CHRNA7CDK2
SCHEMBL2852000 0.67 KDM4E (0.44) HTR1AMAPK8MAPK10CHRNA7PAK4

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-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 — — US disclosed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 — — 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-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 HRH4 1/4885HTR1A 214/4885MAPK8 2636/4885

“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.

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