SCHEMBL881276

SCHEMBL881276

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CN)c1nnc(C)n1-2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.77
DNER Q8NFT8 2/20 0.77
ADORA3 P0DMS8 1/20 0.71
TSPO P30536 1/20 0.71
BRD2 P25440 8/20 0.69
BRD3 Q15059 6/20 0.69
BRDT Q58F21 6/20 0.69
CREBBP Q92793 2/20 0.68
HDAC3 O15379 1/20 0.68
JAK2 O60674 1/20 0.68
BRD1 O95696 1/20 0.68
CCL2 P13500 1/20 0.68
HDAC4 P56524 1/20 0.68
EP300 Q09472 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68

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
SCHEMBL15181973 0.90 BRD4 (0.76) BRD4DNERADORA3TSPOBRD2
SCHEMBL21320249 0.90 BRD4 (0.76) BRD4DNERADORA3TSPOBRD2
SCHEMBL17165536 0.89 BRD4 (0.78) BRD4DNERADORA3TSPOBRD2
SCHEMBL21401829 0.88 BRD4 (0.74) BRD4DNERADORA3TSPOBRD2
SCHEMBL29666190 0.88 BRD4 (0.74) BRD4DNERADORA3TSPOBRD2
SCHEMBL20466955 0.88 BRD4 (0.74) BRD4DNERADORA3TSPOBRD2
SCHEMBL21350022 0.88 BRD4 (0.72) BRD4DNERADORA3TSPOBRD2
SCHEMBL31498658 0.88 BRD4 (0.76) BRD4DNERADORA3TSPOBRD2
SCHEMBL12152636 0.88 BRD4 (0.72) BRD4DNERADORA3TSPOBRD2
SCHEMBL21025004 0.88 BRD4 (0.75) BRD4DNERADORA3TSPOBRD2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925881-B2 Treatment of conditions associated with hyperinsulinaemia TENSHA THERAPEUTICS, INC. (US) 2021-02-23 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
EP-2569434-B1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS DANA FARBER CANCER INST INC (US) 2019-09-04 EP disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-9815849-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-14 US disclosed
US-9789120-B2 Male contraceptive compositions and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20140011862-A1 Compositions and Methods for Treating Leukemia COLD SPRING HARBOR LABORATORY (US) 2014-01-09 US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
WO-2011143651-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011143657-A1 MALE CONTRACEPTIVE COMPOSITIONS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011143660-A2 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
WO-2011143669-A2 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA-FARBER CANCER INSTITUTE, INC (US) 2011-11-17 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 (8 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-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 BRD4 4/4885DNER 1119/4885ADORA3 4638/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 BRD4 891/4885DNER 840/4885ADORA3 1104/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 BRD4 3192/4885DNER 2524/4885ADORA3 985/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 BRD4 891/4885DNER 840/4885ADORA3 1104/4885
US-20140011862-A1 Compositions and Methods for Treating Leukemia MCL1, ABL1, FLT3 BRD4 891/4885DNER 840/4885ADORA3 1104/4885
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM BRD3, BRD2, BRD4 BRD4 3/4885DNER 2719/4885ADORA3 4088/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 BRD4 4/4885DNER 1119/4885ADORA3 4638/4885
US-10925881-B2 Treatment of conditions associated with hyperinsulinaemia GPR119, IAPP, SLC5A2 BRD4 1068/4885DNER 3627/4885ADORA3 2386/4885

“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.