SCHEMBL16065715

SCHEMBL16065715

O=C1Nc2cnc(Cl)nc2N(C2CCCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 11/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ CHRM1 P11229 2/20 0.37

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
SCHEMBL16065726 0.80 MAPK7 (0.54) ALDH1A1
SCHEMBL10098791 0.78 TNK2 (0.56) TNK2
SCHEMBL20628533 0.76 CCNE1 (0.59) TNK2
SCHEMBL23144753 0.72 TNK2 (0.40) TNK2RAB9ACHRM2
SCHEMBL20628389 0.72 TNK2 (0.59) TNK2
SCHEMBL20628471 0.72 TNK2 (0.51) TNK2ALDH1A1
SCHEMBL20628484 0.72 TNK2 (0.58) TNK2
SCHEMBL1366906 0.70 PDGFRA (0.46) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL3231101 0.70 PLK1 (0.37) ALDH1A1LMNAPDE3A
SCHEMBL3231088 0.70 PLK1 (0.37) ALDH1A1LMNAPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 — — US disclosed
US-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-05 — — US disclosed
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-29 — — US disclosed
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 — — US disclosed
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-29 — — US disclosed
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2017-10-05 — — US disclosed
US-9676792-B2 Pyrimido-diazepinone compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-13 — — US disclosed
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2016-01-28 — — US disclosed
WO-2014145909-A2 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-09-18 — — 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 (7 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-20200071340-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885
US-20190084998-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885
US-10787461-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885
US-10189861-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885
US-20170283422-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885
US-10457692-B2 Pyrimido-diazepinone compounds and methods of treating disorders BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885
US-20160024115-A1 PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, GRK3, BRSK1 TNK2 53/4885ALDH1A1 4309/4885LMNA 4361/4885

“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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