SCHEMBL9937368

SCHEMBL9937368

NCC(=O)NC1CC[CH]CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 2/20 0.38
ATF4 P18848 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 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
SCHEMBL16569335 0.90 SMYD3 (0.39) SMYD3SMN1; SMN2KMT2AHPGDEPHX1
SCHEMBL16853215 0.84 SMN1; SMN2 (0.48) SMYD3SMN1; SMN2KMT2AHPGDEPHX1
SCHEMBL3135300 0.84
Hydrochloric Acid SCHEMBL1996186 0.82
SCHEMBL75816 0.81 SMN1; SMN2 (0.40) SMYD3SMN1; SMN2KMT2AHPGDEPHX1
SCHEMBL31723928 0.80
SCHEMBL991938 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AHPGDEPHX1LMNA
SCHEMBL5596387 0.79 MTNR1A (0.47) SMYD3SMN1; SMN2KMT2AHPGDEPHX1
SCHEMBL23475876 0.78 EPHX1 (0.61) SMN1; SMN2KMT2AHPGDEPHX1LMNA
Hydrochloric Acid SCHEMBL3512220 0.78 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AHPGDEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
CN-103298816-A Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2013-09-11 CN disclosed
EP-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 SMYD3 1780/4885SMN1; SMN2 3896/4885KMT2A 1550/4885

“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.