SCHEMBL17239476

SCHEMBL17239476

c1ccc(-c2ccn([C@@H]3CCNC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.47
PIM1 P11309 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
NSD3 Q9BZ95 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
PAICS P22234 1/20 0.39
KHK P50053 4/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 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
SCHEMBL17239552 1.00 PLAUR (0.47) PLAURPIM1KMT2ACHRNB2CHRNA4
SCHEMBL4503250 0.91 PLAUR (0.55) PLAURPIM1KMT2ACHRNB2CHRNA4
SCHEMBL5804770 0.88 LCK (0.47) PLAURSRCGABRA1HTR2CHTR2B
SCHEMBL27959668 0.88 LCK (0.47) PLAURSRCGABRA1HTR2CHTR2B
SCHEMBL27956447 0.85 PAICS (0.41) PLAURPIM1EGFRSRCPAICS
SCHEMBL27956450 0.85 PAICS (0.41) PLAURPIM1EGFRSRCPAICS
SCHEMBL27934510 0.81 BTK (0.44) KMT2AEGFRSRCHTR2CHTR2B
SCHEMBL18173591 0.81 BTK (0.44) KMT2AEGFRSRCHTR2CHTR2B
SCHEMBL7047879 0.79 SCN4A (0.47) PLAURPIM1CHRNB2CHRNA4SRC
Tert-Butyl Formate SCHEMBL27812253 0.78 PLAUR (0.46) PLAURPIM1KMT2ACHRNB2CHRNA4

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-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 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-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 PLAUR 838/4885PIM1 266/4885KMT2A 3210/4885

“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.