SCHEMBL22145374

SCHEMBL22145374

Cc1ccc(N=O)cc1Nc1nn(C)c2nc(Cl)ncc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ BTK Q06187 9/20 0.37
▸ TP53 P04637 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL20558425 0.87 BTK (0.46) KMT2AMAPK14BTKTP53KDM4C
SCHEMBL20558434 0.83 KMT2A (0.42) KMT2AMAPK14BTKTP53MEN1
SCHEMBL20558376 0.82 TP53 (0.52) KMT2ABTKTP53KDM4EALDH1A1
SCHEMBL20558308 0.81 KMT2A (0.51) KMT2AMAPK14MEN1ALDH1A1MAPT
SCHEMBL20558422 0.79 BTK (0.55) KMT2ABTKTP53KDM4CMEN1
SCHEMBL20558330 0.79 BTK (0.41) KMT2ABTKPDE2A
SCHEMBL24951880 0.78 KMT2A (0.41) KMT2ABTKKDM4EPDE2AALDH1A1
SCHEMBL30202614 0.77 MAPT (0.47) MAPK14BTKTP53KDM4EL3MBTL1
SCHEMBL24951522 0.77 MAPT (0.47) MAPK14BTKTP53KDM4EL3MBTL1
SCHEMBL20558365 0.77 KDM4E (0.53) BTKKDM4EGLAL3MBTL1

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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 — — US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 — — 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 (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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK KMT2A 1861/4885MAPK14 436/4885BTK 1/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK KMT2A 1861/4885MAPK14 436/4885BTK 1/4885

“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.

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