SCHEMBL22145341

SCHEMBL22145341

COCCOc1ccc(NC(=O)c2cnc(Cl)nc2Cl)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NR3C1 P04150 2/20 0.43
▸ NFKB1 P19838 3/20 0.43
▸ JUN P05412 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATF1 P18846 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ POLQ O75417 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
SCHEMBL22145342 0.86 F10 (0.41) KMT2AMEN1NR3C1NFKB1JUN
SCHEMBL22145717 0.81 MAPT (0.54) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL22145720 0.76 NFKB1 (0.54) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL24951632 0.74 RAB9A (0.52) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL30202869 0.72 ALDH1A1 (0.50) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL24951630 0.72 ALDH1A1 (0.50) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL22145357 0.71 NFKB1 (0.45) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL2949398 0.70 RXFP1 (0.51) NFKB1JUNNFKB2RELAATF1
SCHEMBL30962852 0.69 NFKB1 (0.47) KMT2AMEN1NFKB1JUNNFKB2
SCHEMBL20558428 0.68 NFKB1 (0.65) NFKB1JUNNFKB2RELAKDM4E

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 1861/4885MEN1 1692/4885NR3C1 3077/4885
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 1861/4885MEN1 1692/4885NR3C1 3077/4885

“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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