SCHEMBL21492003

SCHEMBL21492003

N#Cc1cnn(Cc2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
KCNH2 Q12809 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
CYP19A1 P11511 4/20 0.38
AR P10275 2/20 0.37
PGR P06401 1/20 0.37
RET P07949 1/20 0.37
CCR9 P51686 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PDE9A O76083 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GRM2 Q14416 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DAO P14920 1/20 0.34

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
SCHEMBL30744376 1.00 KLKB1 (0.41) KLKB1KCNH2GRIN1GRIN2BCYP19A1
SCHEMBL17685589 0.82 KLKB1 (0.42) KLKB1CYP19A1ARPGRCYP11B1
SCHEMBL25269987 0.79 GRIN1 (0.40) KCNH2GRIN1GRIN2BRETTRPV4
SCHEMBL21503682 0.78 LOXL2 (0.40) KLKB1KCNH2GRIN1GRIN2BTRPV4
SCHEMBL21491519 0.77 GLS (0.38) KLKB1KCNH2GRIN1GRIN2BPGR
Hydrochloric Acid SCHEMBL21491894 0.77 LMNA (0.41) KLKB1KCNH2GRIN1GRIN2BTRPV4
SCHEMBL26202009 0.77 CYP3A4 (0.40) GRIN1GRIN2BTRPV4LMNAMAPT
Hydrochloric Acid SCHEMBL30744436 0.77 LMNA (0.41) KLKB1KCNH2GRIN1GRIN2BTRPV4
SCHEMBL24401098 0.76 GRIN1 (0.38) GRIN1GRIN2BTRPV4PDE9ACYP11B1
SCHEMBL21492571 0.76 GRIN1 (0.38) KCNH2GRIN1GRIN2BTRPV4LMNA

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 10 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
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-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
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN 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 KLKB1 630/4885KCNH2 4273/4885GRIN1 1786/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885KCNH2 4273/4885GRIN1 1786/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885KCNH2 4273/4885GRIN1 1786/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885KCNH2 4273/4885GRIN1 1786/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885KCNH2 4273/4885GRIN1 1786/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885KCNH2 4273/4885GRIN1 1786/4885

“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.