SCHEMBL13073442

SCHEMBL13073442

CSc1ncccc1C=N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1255150 0.80 TRIM24 (0.52) KMT2AALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL19880575 0.73 NOS3 (0.31) —
SCHEMBL19526445 0.72 — —
SCHEMBL13617493 0.70 TRIM24 (0.39) KMT2AALDH1A1KDM4ERAB9ATSHR
SCHEMBL10833630 0.70 L3MBTL1 (0.47) KMT2AKDM4ENPSR1L3MBTL1RAB9A
SCHEMBL5640712 0.70 — —
SCHEMBL9476304 0.70 RAB9A (0.41) KMT2AKDM4EL3MBTL1RAB9ATSHR
SCHEMBL9476299 0.70 RAB9A (0.41) KMT2AKDM4EL3MBTL1RAB9ATSHR
SCHEMBL19779875 0.69 TRIM24 (0.35) ALDH1A1KDM4EL3MBTL1TRIM24TRIM33
SCHEMBL27894950 0.69 ALDH1A1 (0.40) KMT2AALDH1A1KDM4ENPSR1L3MBTL1

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-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 — — 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-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 KMT2A 270/4885ALDH1A1 762/4885KDM4E 2136/4885

“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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