SCHEMBL17920909

SCHEMBL17920909

ClNCc1cnc2[nH]cc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
KLKB1 P03952 8/20 0.41
MAP4K1 Q92918 4/20 0.40
BTK Q06187 4/20 0.39
ITK Q08881 4/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
METAP2 P50579 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL29481417 0.81 PRMT5 (0.48) F2KLKB1MAP4K1BTKITK
SCHEMBL7443703 0.81 PRMT5 (0.48) F2KLKB1MAP4K1BTKITK
SCHEMBL23452595 0.80 KLKB1 (0.50) F2KLKB1MAP4K1BTKITK
Hydrochloric Acid SCHEMBL29485586 0.80 PRMT5 (0.47) F2KLKB1MAP4K1BTKITK
Hydrochloric Acid SCHEMBL16881193 0.80 PRMT5 (0.47) F2KLKB1MAP4K1BTKITK
Hydrochloric Acid SCHEMBL7213801 0.80 PRMT5 (0.47) F2KLKB1MAP4K1BTKITK
SCHEMBL23491251 0.77 KLKB1 (0.48) F2KLKB1MAP4K1BTKITK
SCHEMBL27033400 0.77 CYP3A4 (0.43) KLKB1MAP4K1ITKPRMT5WDR77
SCHEMBL23279795 0.77 F2 (0.47) F2KLKB1MAP4K1BTKITK
SCHEMBL29958152 0.77 CYP3A4 (0.43) KLKB1MAP4K1ITKPRMT5WDR77

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-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 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-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 F2 75/4885KLKB1 1/4885MAP4K1 249/4885

“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.