SCHEMBL6318680

SCHEMBL6318680

CN(C)CC#Cc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
CYP2A6 P11509 1/20 0.49
MAPT P10636 1/20 0.45
KCNH2 Q12809 3/20 0.44
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
PYCR1 P32322 1/20 0.37
PIKFYVE Q9Y2I7 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL12203969 0.81 KCNH2 (0.65) CYP2A6MAPTKCNH2ALDH1A1GLA
SCHEMBL1239417 0.79 PYCR1 (0.56) CYP2A6KCNH2ALDH1A1GLACYP2C19
SCHEMBL11947284 0.79 CYP2A6 (0.49) APPCYP2A6KCNH2ALDH1A1GLA
SCHEMBL23032123 0.79 CYP2A6 (0.49) APPCYP2A6KCNH2ALDH1A1GLA
SCHEMBL7080591 0.79 CYP2A6 (0.49) CYP2A6KCNH2ALDH1A1GLACYP2C19
SCHEMBL8136691 0.78 CYP2A6 (0.61) APPCYP2A6MAPTKCNH2ALDH1A1
SCHEMBL10176271 0.78 CYP2A6 (0.47) CYP2A6KCNH2ALDH1A1GLACYP2C19
SCHEMBL13849618 0.78 KCNH2 (0.47) CYP2A6KCNH2ALDH1A1GLACYP2C19
SCHEMBL13242886 0.77 CYP2A6 (0.51) CYP2A6CYP3A4RECQLPYCR1PIKFYVE
SCHEMBL7081483 0.76 APP (0.50) APPCYP2A6KCNH2PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 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 (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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 APP 4718/4885CYP2A6 1584/4885MAPT 3817/4885

“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.