SCHEMBL20676972

SCHEMBL20676972

O=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
POLB P06746 2/20 0.70
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL31073302 1.00 MAPT (0.74) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29435521 0.87 MAPT (0.97) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL15141576 0.87 MAPT (0.97) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL3539759 0.87 MAPT (0.90) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL2722856 0.85 MAPT (1.00) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29437410 0.85 MAPT (1.00) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL2726097 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL521907 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29349693 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL1392957 0.83 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3434676-B1 SUBSTITUTED PYRROLOPYRIMIDINE CDK INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-03-09 EP disclosed
CN-108884101-B Substituted pyrrolopyrimidine CDK inhibitors, pharmaceutical compositions containing the same and their use 正大天晴药业集团股份有限公司 2020-07-24 CN disclosed
US-10570141-B2 Substituted pyrrolopyrimidine CDK inhibitor, pharmaceutical composition containing same and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-25 US disclosed
US-20190300533-A1 SUBSTITUTED PYRROLOPYRIMIDINE CDK INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-10-03 US disclosed
EP-3434676-A1 SUBSTITUTED PYRROLOPYRIMIDINE CDK INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-01-30 EP 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 (2 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-10570141-B2 Substituted pyrrolopyrimidine CDK inhibitor, pharmaceutical composition containing same and use thereof CDK6, CDK9, CDK3 MAPT 2175/4885POLB 103/4885RAB9A 3111/4885
US-20190300533-A1 SUBSTITUTED PYRROLOPYRIMIDINE CDK INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF CDK6, CDK9, CDK3 MAPT 2175/4885POLB 103/4885RAB9A 3111/4885

“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.