SCHEMBL21491992

SCHEMBL21491992

C=C(C)c1ccc(Cn2cc(CN)cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.41
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
KLK1 P06870 4/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL30744379 1.00 KLKB1 (0.41) KLKB1GABRA1GABRR1GABRA3GABRA2
Trifluoroacetic Acid SCHEMBL28533588 0.90 KLKB1 (0.40) KLKB1SCDSCD5KLK1KDM4E
SCHEMBL21492752 0.80 KLKB1 (0.44) KLKB1SCDSCD5KLK1
SCHEMBL28535770 0.80 SCD5 (0.47) SCDSCD5LMNAMAPTKDM4E
Hydrochloric Acid SCHEMBL21492722 0.77 KLKB1 (0.41) KLKB1GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL30744599 0.77 KLKB1 (0.41) KLKB1GABRA1GABRR1GABRA3GABRA2
SCHEMBL21492681 0.76 MAPT (0.55) LMNAMAPT
SCHEMBL30744411 0.76 MAPT (0.55) LMNAMAPT
SCHEMBL21493036 0.75 KLKB1 (0.38) KLKB1GABRA1GABRR1GABRA3GABRA2
SCHEMBL30744550 0.75 KLKB1 (0.38) KLKB1GABRA1GABRR1GABRA3GABRA2

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 14 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
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 KLKB1 630/4885GABRA1 3502/4885GABRR1 3473/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885GABRA1 3502/4885GABRR1 3473/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885GABRA1 3502/4885GABRR1 3473/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885GABRA1 3502/4885GABRR1 3473/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885GABRA1 3502/4885GABRR1 3473/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885GABRA1 3502/4885GABRR1 3473/4885

“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.