SCHEMBL22145338

SCHEMBL22145338

CCC(=O)NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
TAAR1 Q96RJ0 1/20 0.57
CNR1 P21554 1/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL1395699 0.86 CNR1 (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20718868 0.86 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9137509 0.84 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL27524629 0.84 RAB9A (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2850347 0.84 APOBEC3A (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6959797 0.84 KDM4E (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8393893 0.83 CNR1 (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1695076 0.82 SMN1; SMN2 (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8233676 0.81 MAPT (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9190987 0.81 KMT2A (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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 ALDH1A1 3762/4885RAB9A 2165/4885NPC1 4627/4885
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 ALDH1A1 3762/4885RAB9A 2165/4885NPC1 4627/4885

“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.