SCHEMBL17628629

SCHEMBL17628629

CCCc1cnn2c(N(C)c3ccccc3)nc(SC)nc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.34
ABL1 P00519 6/20 0.34
ADORA1 P30542 2/20 0.33
CRHR1 P34998 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
PTBP1 P26599 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CREBBP Q92793 1/20 0.32
HCK P08631 1/20 0.31
PIM1 P11309 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
SCHEMBL17628594 0.79 SMN1; SMN2 (0.35) SRCABL1SMN1; SMN2HTTMEN1
SCHEMBL10324182 0.79 SRC (0.34) SRCABL1CRHR1SMN1; SMN2HTT
SCHEMBL12584685 0.78 SMN1; SMN2 (0.33) SRCABL1CRHR1SMN1; SMN2HTT
SCHEMBL6833888 0.72 CRHR1 (0.45) CRHR1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL4165752 0.71 CRHR1 (0.32) CRHR1
SCHEMBL4166669 0.71 ALDH1A1 (0.34) ADORA1SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL12584670 0.71 DPP4 (0.44) CRHR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4180510 0.71 KDR (0.46) CRHR1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL4158630 0.70 TSHR (0.31) HTTTSHRKMT2ANPSR1
SCHEMBL6889259 0.70 GSK3B (0.39)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-20190084984-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-21 US disclosed
US-20190084984-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-21 US disclosed
US-10174031-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-08 US disclosed
US-10174031-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-08 US disclosed
US-20180009810-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-01-11 US disclosed
US-20180009810-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-01-11 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 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 (5 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-20180009810-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S SRC 1259/4885ABL1 1504/4885ADORA1 381/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S SRC 1259/4885ABL1 1504/4885ADORA1 381/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S SRC 1259/4885ABL1 1504/4885ADORA1 381/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S SRC 1259/4885ABL1 1504/4885ADORA1 381/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S SRC 1259/4885ABL1 1504/4885ADORA1 381/4885

“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.