SCHEMBL7589888

SCHEMBL7589888

Bc1nc(C)n(-c2ccccn2)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 2/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.36
PTK2 Q05397 1/20 0.36
HTT P42858 1/20 0.36
AVPR1A P37288 1/20 0.36
POLB P06746 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
PLD1 Q13393 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
MAT2A P31153 1/20 0.35

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
SCHEMBL10153088 0.77 SORD (0.41) SMN1; SMN2DPP4ALDH1A1PDCD1CD274
SCHEMBL10153133 0.76 ALDH1A1 (0.48) SMN1; SMN2DPP4ALDH1A1KDM4EMAPT
SCHEMBL1083616 0.74 ALDH1A1 (0.47) SMN1; SMN2DPP4ALDH1A1KDM4EMAPT
SCHEMBL540845 0.74 MAPK1 (0.59) SMN1; SMN2DPP4ALDH1A1KDM4EMAPT
SCHEMBL20033206 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PDCD1CD274KDM4E
Lithium Ion SCHEMBL1083615 0.73 HTR2A (0.45) SMN1; SMN2DPP4ALDH1A1KDM4EMAPT
SCHEMBL30436933 0.72 SMN1; SMN2 (0.53) SMN1; SMN2DPP4ALDH1A1PDCD1CD274
SCHEMBL4675341 0.72 SMN1; SMN2 (0.53) SMN1; SMN2DPP4ALDH1A1PDCD1CD274
SCHEMBL7588836 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1PDCD1CD274KDM4E
SCHEMBL1077879 0.70 HPGD (0.50) SMN1; SMN2ALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 US disclosed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-05-17 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 (4 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-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 4384/4885DPP4 707/4885ALDH1A1 1387/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 3566/4885DPP4 841/4885ALDH1A1 1240/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP SMN1; SMN2 3273/4885DPP4 1083/4885ALDH1A1 1010/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 SMN1; SMN2 4384/4885DPP4 707/4885ALDH1A1 1387/4885

“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.