SCHEMBL22145716

SCHEMBL22145716

Cc1ccc(NC(=O)c2cnc(Cl)nc2N(C)N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TAS1R3 Q7RTX0 3/20 0.45
▸ TAS1R1 Q7RTX1 3/20 0.45
▸ TAS1R2 Q8TE23 3/20 0.45
▸ PKM P14618 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ JUN P05412 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL24952254 0.92 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL22145342 0.84 F10 (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL22145717 0.83 MAPT (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL20558385 0.81 RXFP1 (0.46) JUNNFKB1NFKB2RELA
SCHEMBL20558515 0.81 NFKB1 (0.54) MAPTL3MBTL1KDM4EHPGDJUN
SCHEMBL30202682 0.78 ALDH1A1 (0.46) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL24951831 0.78 ALDH1A1 (0.46) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL20558390 0.77 XPO1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL22145719 0.76 NFKB1 (0.48) NPC1RAB9AMAPTKMT2AL3MBTL1
SCHEMBL27208466 0.76 CHRNA7 (0.41) NPC1RAB9AALDH1A1HPGDJUN

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 NPC1 4627/4885RAB9A 2165/4885SMN1; SMN2 1278/4885
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 NPC1 4627/4885RAB9A 2165/4885SMN1; SMN2 1278/4885

“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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