SCHEMBL881263

SCHEMBL881263

Cc1sc(N)c(C(=O)c2cccnc2)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 2/20 0.68
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ADORA1 P30542 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HSD17B10 Q99714 1/20 0.54
USP2 O75604 1/20 0.53
GAA P10253 2/20 0.52
CHRM4 P08173 2/20 0.52
HPGD P15428 1/20 0.50
GRM6 O15303 1/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL1638729 0.81 ALDH1A1 (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13886683 0.76 ALDH1A1 (0.71) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL135598 0.74 ALDH1A1 (0.75) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30893849 0.73 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3777726 0.73 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2339410 0.73 MEN1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1242243 0.73 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL29915528 0.73 ALDH1A1 (0.71) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL21847272 0.72 ALDH1A1 (0.66) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30893851 0.72 ALDH1A1 (0.66) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 ALDH1A1 3670/4885MAPT 2072/4885LMNA 528/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ALDH1A1 1723/4885MAPT 4443/4885LMNA 439/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 ALDH1A1 1692/4885MAPT 4052/4885LMNA 288/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 ALDH1A1 1723/4885MAPT 4443/4885LMNA 439/4885
US-20140011862-A1 Compositions and Methods for Treating Leukemia MCL1, ABL1, FLT3 ALDH1A1 1723/4885MAPT 4443/4885LMNA 439/4885
US-20130252331-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLISM BRD3, BRD2, BRD4 ALDH1A1 4275/4885MAPT 2993/4885LMNA 1819/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ALDH1A1 3670/4885MAPT 2072/4885LMNA 528/4885

“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.