SCHEMBL19329643

SCHEMBL19329643

CCCCCCCCc1cc2cc(C#N)ccc2n1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM5 P41594 6/20 0.37
▸ PLAUR Q03405 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ SLC11A2 P49281 1/20 0.35
▸ CDC7 O00311 1/20 0.34

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
SCHEMBL19329672 1.00 CYP19A1 (0.38) CYP19A1TSHRHSD17B10GRM5PLAUR
SCHEMBL19329642 0.84 TLR8 (0.39) TSHRHSD17B10
SCHEMBL19330015 0.83 OXER1 (0.47) —
SCHEMBL19329633 0.83 OXER1 (0.47) —
SCHEMBL19329879 0.81 PDE10A (0.44) CYP19A1
SCHEMBL1313567 0.77 TSHR (0.46) CYP19A1TSHRHSD17B10CDC7
SCHEMBL28390643 0.74 PLAUR (0.57) CYP19A1GRM5PLAURSLC11A2CDC7
SCHEMBL19329739 0.72 OXER1 (0.48) CYP19A1
SCHEMBL31573826 0.71 GRM5 (0.47) GRM5PLAURHRH1HTR6SLC11A2
SCHEMBL29387648 0.68 CDC7 (0.64) CYP19A1GRM5CDC7

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-10940468-B2 Nickel catalyst, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-03-09 — — US disclosed
WO-2017154022-A1 NOVEL NICKEL CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-14 — — WO 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-10940468-B2 Nickel catalyst, process for preparation and use thereof NISCH, NIT2, C9 CYP19A1 84/4885TSHR 4602/4885HSD17B10 929/4885

“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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