SCHEMBL16273407

SCHEMBL16273407

CN[C@@H]1CCC(c2ccnc(NCC34CC5CC(CC(C5)C3)C4)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.44
▸ HRH4 Q9H3N8 5/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CHRNA7 P36544 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16275101 0.87 IDH1 (0.35) IDH1HRH4HRH3PRKCQ
SCHEMBL16273403 0.78 HRH4 (0.46) HRH4CHRNA7
SCHEMBL1588174 0.75 HRH4 (0.68) IDH1HRH4HRH3
SCHEMBL19506858 0.75 HRH4 (0.68) IDH1HRH4HRH3
SCHEMBL19233170 0.68 HRH4 (0.42) HRH4HRH3FLT3TYRO3MERTK
SCHEMBL17700440 0.67 CHRNA7 (0.53) HRH4HRH3CHRNA7
SCHEMBL19191219 0.66 IDH1 (0.56) IDH1HRH4HRH3KDM5AKDM5B
SCHEMBL24042813 0.65 SYK (0.40) FLT3
SCHEMBL19519095 0.65 HRH4 (0.58) IDH1HRH4HRH3
SCHEMBL846534 0.64 HRH4 (0.65) HRH4

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-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 — — US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 — — 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 IDH1 3315/4885HRH4 1/4885HRH3 2/4885

“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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