SCHEMBL15880652

SCHEMBL15880652

c1nc(NC2CC2)nc2c1CNCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 1/20 0.43
HTR2C P28335 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 5/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK3 P27361 1/20 0.40
IKBKE Q14164 1/20 0.39
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
PAK1 Q13153 1/20 0.38
ENPP2 Q13822 1/20 0.37
TYRO3 Q06418 2/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
MAPK8 P45983 1/20 0.36
ULK1 O75385 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
SCHEMBL18818630 0.86 GRM5 (0.46) GRM5MAPTMAPK1ALDH1A1MAPK3
SCHEMBL15874679 0.85 ENPP2 (0.54) POLBSMN1; SMN2HTR2CMAPTENPP2
Hydrochloric Acid SCHEMBL28413099 0.84 GRM5 (0.45) GRM5MAPTMAPK1ALDH1A1MAPK3
SCHEMBL31390094 0.80 POLB (0.48) POLBSMN1; SMN2HTR2CIKBKECDK4
SCHEMBL17635121 0.80 POLB (0.48) POLBSMN1; SMN2HTR2CIKBKECDK4
SCHEMBL18818340 0.79 MAPK1 (0.51) MAPK1MAPK3MAPK8
Hydrochloric Acid SCHEMBL28404633 0.78 MAPK1 (0.50) MAPK1MAPK3MAPK8
Hydrochloric Acid SCHEMBL12498011 0.77 CDK2 (0.43) HTR2CMAPK1MAPK3CDK4CDK2
SCHEMBL21657103 0.76 HTR2C (0.45) POLBSMN1; SMN2HTR2CALDH1A1IKBKE
Trifluoroacetic Acid SCHEMBL29608658 0.75 ENPP2 (0.53) HTR2CMAPTMAPK1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945623-B1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2018-09-05 EP disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
EP-2945623-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou yunxuan yiyaokeji youxiangongsi (Su Zhou Yuan Pharm) (CN) 2015-11-25 EP disclosed
WO-2014113191-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF ZHANG XIAOHU (CN) 2014-07-24 WO disclosed
WO-2014113191-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF ZHANG XIAOHU (CN) 2014-07-24 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 (1 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-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO POLB 3113/4885SMN1; SMN2 2439/4885GRM5 1150/4885

“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.