SCHEMBL20037006

SCHEMBL20037006

Cc1nn(-c2ccc(C#N)cc2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.55
RECQL P46063 1/20 0.55
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
AR P10275 1/20 0.48
CHEK2 O96017 3/20 0.47
KDM4E B2RXH2 1/20 0.44
SLC34A1 Q06495 5/20 0.42
RAB9A P51151 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9389469 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RECQLMAPTL3MBTL1
SCHEMBL21711392 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RECQLMAPTL3MBTL1
SCHEMBL16832771 0.77 MAPT (0.63) ALDH1A1NPC1MAPTRAB9ADCTPP1
SCHEMBL16833409 0.76 MAPT (0.50) ALDH1A1RECQLMAPTL3MBTL1SMN1; SMN2
SCHEMBL4236887 0.75 MAPT (0.49) ALDH1A1NPC1MAPTARCHEK2
SCHEMBL20037190 0.74 SMN1; SMN2 (0.62) ALDH1A1MAPTARSLC34A1SMN1; SMN2
SCHEMBL4241325 0.74 AR (0.53) MAPTARKDM4ESLC34A1SMN1; SMN2
SCHEMBL16832137 0.73 NPC1 (0.59) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL22632742 0.72 L3MBTL1 (0.70) ALDH1A1NPC1RECQLMAPTL3MBTL1
SCHEMBL20075148 0.72 SLC34A1 (0.53) ALDH1A1NPC1ARKDM4ESLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 CN disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 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 (3 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-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS ALDH1A1 211/4885NPC1 324/4885RECQL 350/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS ALDH1A1 211/4885NPC1 324/4885RECQL 350/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS ALDH1A1 211/4885NPC1 324/4885RECQL 350/4885

“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.