SCHEMBL22280229

SCHEMBL22280229

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2 Q05397 11/20 0.48
DYRK1A Q13627 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DHODH Q02127 1/20 0.46
PLK1 P53350 2/20 0.45

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
SCHEMBL14748357 0.85 KMT2A (0.52) IGF1RKDM4EMEN1MAPTKMT2A
SCHEMBL1163804 0.84 KDM4E (0.51) IGF1RKDM4EMEN1MAPTKMT2A
SCHEMBL22182518 0.82 PTK2 (0.52) IGF1RKDM4EMEN1MAPTKMT2A
SCHEMBL1675598 0.80 KDM4E (0.47) IGF1RKDM4EMEN1MAPTKMT2A
SCHEMBL21473640 0.79 PTK2 (0.56) IGF1RPTK2PLK1
SCHEMBL3538922 0.77 HTR4 (0.47) KDM4EMEN1MAPTKMT2A
SCHEMBL3942580 0.77 HTR4 (0.47) KDM4EMEN1MAPTKMT2A
SCHEMBL21610980 0.77 HRH3 (0.59) IGF1RKDM4EMEN1MAPTKMT2A
SCHEMBL14924096 0.77 KMT2A (0.51) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL3544454 0.76 HTR7 (0.48) KDM4EMEN1MAPTKMT2APTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 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-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 IGF1R 1336/4885KDM4E 2114/4885MEN1 1695/4885

“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.