SCHEMBL783436

SCHEMBL783436

Cn1cncc(C(C)(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
CHRM5 P08912 3/20 0.32
IDO1 P14902 1/20 0.31
CHRM4 P08173 2/20 0.30
CHRM1 P11229 2/20 0.30
CYP2C9 P11712 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRM2 P08172 1/20 0.30
CYP2A6 P11509 1/20 0.30
CNR1 P21554 1/20 0.30
HTR2A P28223 1/20 0.30
CYP2A13 Q16696 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL23029116 0.78
SCHEMBL19723151 0.75 ALDH1A1 (0.32)
SCHEMBL8404472 0.71
SCHEMBL12472536 0.70
SCHEMBL2399343 0.70
SCHEMBL6984886 0.69 CYP17A1 (0.37) IDO1CYP3A4
SCHEMBL18666717 0.68 CHRM5 (0.37) GABRA5BRD9CHRM5CHRM4CHRM1
SCHEMBL12376774 0.68 CYP11B1 (0.50) IDO1LMNA
SCHEMBL18651547 0.67 KDM5A (0.35) GABRA5BRD9CHRM5IDO1CHRM4
SCHEMBL2467025 0.67 SRC (0.37) GABRA5BRD9CYP2C9MEN1LMNA

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-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-05-26 US disclosed
US-9629836-B2 Compounds and compositions as inhibitors of MEK NOVARTIS AG (CH) 2017-04-25 US disclosed
US-20160136150-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NOVARTIS AG (CH) 2016-05-19 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 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 (5 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-20160136150-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NRAS, BRAF, KRAS GABRA5 4751/4885BRD9 2270/4885CHRM5 2665/4885
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE EGFR, ERBB2, ERBB4 GABRA5 1976/4885BRD9 717/4885CHRM5 4619/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET GABRA5 2484/4885BRD9 4043/4885CHRM5 4310/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET GABRA5 2370/4885BRD9 4073/4885CHRM5 4089/4885
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors EGFR, ERBB2, ERBB3 GABRA5 2126/4885BRD9 807/4885CHRM5 4777/4885

“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.