SCHEMBL21492990

SCHEMBL21492990

NCc1ncn(Cc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
AADAT Q8N5Z0 1/20 0.42
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
KLKB1 P03952 2/20 0.38
KLK1 P06870 1/20 0.38
TYMS P04818 1/20 0.38
HTR2C P28335 1/20 0.38
CHRM5 P08912 1/20 0.38
CPB1 P15086 1/20 0.38
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TEAD1 P28347 2/20 0.36
MBOAT4 Q96T53 1/20 0.36

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
SCHEMBL18617892 0.77 RXRA (0.42) MAOBAOC3TP53
SCHEMBL22737096 0.77 CACNA1H (0.46) HDAC1HDAC6ALDH1A1TSHRAADAT
SCHEMBL28517031 0.77 HDAC1 (0.45) HDAC1HDAC6ALDH1A1TSHRAADAT
SCHEMBL22737100 0.74 HDAC1 (0.50) HDAC1HDAC6ALDH1A1TSHRAADAT
SCHEMBL21503349 0.73 KLKB1 (0.45) ALDH1A1TSHRAADATCACNA1GCACNA1H
SCHEMBL17316720 0.72 CACNA1G (0.52) ALDH1A1TSHRAADATCACNA1GCACNA1H
Hydrochloric Acid SCHEMBL21491618 0.72 KLKB1 (0.45) ALDH1A1TSHRAADATCACNA1GCACNA1H
SCHEMBL3319305 0.72 CYP19A1 (0.57) HDAC1HDAC6ALDH1A1TSHRAADAT
SCHEMBL24310644 0.71 HDAC1 (0.45) HDAC1HDAC6ALDH1A1TSHRAADAT
SCHEMBL106741 0.71 HTR2C (0.54) ALDH1A1TSHRHTR2CMAOBAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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 (6 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HDAC1 1240/4885HDAC6 1925/4885ALDH1A1 569/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HDAC1 1240/4885HDAC6 1925/4885ALDH1A1 569/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HDAC1 1240/4885HDAC6 1925/4885ALDH1A1 569/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HDAC1 1240/4885HDAC6 1925/4885ALDH1A1 569/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HDAC1 1240/4885HDAC6 1925/4885ALDH1A1 569/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HDAC1 1240/4885HDAC6 1925/4885ALDH1A1 569/4885

“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.