SCHEMBL21492945

SCHEMBL21492945

N#Cc1cn(Cc2ccc(C(F)(F)F)nc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PDE9A O76083 2/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
KCNH2 Q12809 1/20 0.35
RET P07949 1/20 0.35
P2RX3 P56373 4/20 0.35
P2RX2 Q9UBL9 4/20 0.35
DAO P14920 2/20 0.34
PPARD Q03181 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM2 Q14416 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL30744491 1.00 CYP11B1 (0.36) CYP11B1TRPV4PDE9AGRIN1GRIN2B
SCHEMBL21491764 0.77 TRPV4 (0.37) CYP11B1TRPV4GRIN1GRIN2BKCNH2
SCHEMBL30744362 0.77 TRPV4 (0.37) CYP11B1TRPV4GRIN1GRIN2BKCNH2
SCHEMBL24208607 0.76 CPB1 (0.39) CYP11B1TRPV4GRIN1GRIN2BKCNH2
SCHEMBL28524266 0.76 CYP2C19 (0.38) TRPV4GRIN1GRIN2BKCNH2DAO
SCHEMBL19402035 0.75 FNTA (0.46) CYP11B1CYP11B2
SCHEMBL21492003 0.73 KLKB1 (0.41) CYP11B1TRPV4PDE9AGRIN1GRIN2B
SCHEMBL30744376 0.73 KLKB1 (0.41) CYP11B1TRPV4PDE9AGRIN1GRIN2B
SCHEMBL21407299 0.71 HDAC6 (0.52)
SCHEMBL21492711 0.71 PPARD (0.42) KCNH2PPARDKDM1AMAOAMAOB

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
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
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
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 CYP11B1 25/4885TRPV4 4185/4885PDE9A 632/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CYP11B1 25/4885TRPV4 4185/4885PDE9A 632/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CYP11B1 25/4885TRPV4 4185/4885PDE9A 632/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CYP11B1 25/4885TRPV4 4185/4885PDE9A 632/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CYP11B1 25/4885TRPV4 4185/4885PDE9A 632/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CYP11B1 25/4885TRPV4 4185/4885PDE9A 632/4885

“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.