SCHEMBL183259

SCHEMBL183259

Cn1cnc2c(NCCc3ccccc3)nc(Cl)nc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.77
CYP2D6 P10635 3/20 0.72
CYP2C19 P33261 2/20 0.72
CYP2C9 P11712 1/20 0.72
TSHR P16473 1/20 0.72
ADORA1 P30542 3/20 0.63
ADORA3 P0DMS8 1/20 0.63
TSPO P30536 1/20 0.63
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CCNE2 O96020 2/20 0.58
CCNE1 P24864 2/20 0.58
CDK2 P24941 2/20 0.58
YTHDC1 Q96MU7 2/20 0.57
KDM4E B2RXH2 1/20 0.54
CCNB2 O95067 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
CCNB1 P14635 1/20 0.54

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
SCHEMBL8010398 0.87 CDK1 (1.00) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL17628580 0.86 TMIGD3 (0.70) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL17628610 0.84 CDK1 (0.79) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL183394 0.83 CDK1 (0.60) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL15756616 0.81 YTHDC1 (0.66) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL17628595 0.81 CDK1 (0.86) CDK1CYP2D6CYP1A2CYP3A4CCNE2
SCHEMBL17628588 0.80 CDK1 (0.70) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL6817845 0.79 CYP2D6 (0.64) CDK1CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL15756901 0.78 YTHDC1 (0.69) CDK1ADORA1ADORA3CCNE2CCNE1
SCHEMBL15756435 0.78 CCNE2 (0.61) CDK1CYP2D6CYP2C19CYP2C9TSHR

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 41 patents — showing the first 20. 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
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
EP-2142546-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2142545-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 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 (6 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 CDK1 2530/4885CYP2D6 2468/4885CYP2C19 2575/4885
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CDK1 4042/4885CYP2D6 3713/4885CYP2C19 3967/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CYP2D6 2468/4885CYP2C19 2575/4885
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 CDK1 4042/4885CYP2D6 3713/4885CYP2C19 3967/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CYP2D6 2468/4885CYP2C19 2575/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885CYP2D6 2468/4885CYP2C19 2575/4885

“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.