SCHEMBL12606992

SCHEMBL12606992

CC(=O)N1CCN(Cc2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ATM Q13315 1/20 0.67
HRH3 Q9Y5N1 3/20 0.58
RORC P51449 1/20 0.49
PPARD Q03181 1/20 0.48
KDR P35968 2/20 0.45
ICAM1 P05362 1/20 0.45
LTA4H P09960 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CCR9 P51686 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL20249414 0.87 ATM (0.51) MEN1KMT2AATMHRH3PPARD
SCHEMBL20249523 0.84 ATM (0.48) MEN1KMT2AATMHRH3PPARD
SCHEMBL20249357 0.83 PPARD (0.53) MEN1KMT2AATMHRH3PPARD
SCHEMBL20249406 0.83 PPARD (0.47) MEN1KMT2AATMPPARDCCR9
SCHEMBL15450978 0.82 ATM (0.72) MEN1KMT2AATMHRH3RORC
SCHEMBL20249372 0.82 PPARD (0.49) MEN1KMT2AATMPPARDCCR9
SCHEMBL10223577 0.81 LMNA (0.50) PPARD
SCHEMBL18713020 0.81 ALDH1A1 (0.56) MEN1KMT2AATMPPARDCYP2D6
SCHEMBL12606995 0.81 HRH3 (0.55) MEN1KMT2AATMHRH3RORC
SCHEMBL12673217 0.81 HRH3 (0.50) HRH3PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use INTELLIKINE LLC 2015-08-13 US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 MEN1 2609/4885KMT2A 670/4885ATM 1492/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 MEN1 3187/4885KMT2A 968/4885ATM 319/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE MEN1 2706/4885KMT2A 914/4885ATM 331/4885
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use MTOR, PDPK1, PIKFYVE MEN1 2706/4885KMT2A 914/4885ATM 331/4885

“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.