SCHEMBL21491740

SCHEMBL21491740

NCc1cnn(Cc2ccc(F)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
GABRA1 P14867 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CREBBP Q92793 1/20 0.34
KLKB1 P03952 5/20 0.32
KCNH2 Q12809 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAOB P27338 2/20 0.32
DAO P14920 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
KLK1 P06870 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL21491759 0.81 LMNA (0.66) MAPTLMNAGABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL21491711 0.80 KCNH2 (0.41) MAPTLMNAGABRA1GABRR1GABRA3
SCHEMBL21503320 0.80 GABRA1 (0.42) MAPTLMNAGABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL21492580 0.80 LMNA (0.69) MAPTLMNAGABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL21491727 0.78 MAPT (0.43) MAPTLMNAGABRA1GABRR1GABRA3
SCHEMBL28529648 0.75 TAS2R8 (0.45) MAPTLMNAALDH1A1CREBBP
SCHEMBL23634180 0.74 GABRA1 (0.40) GABRA1GABRR1GABRA3GABRA2GABRB2
Hydrochloric Acid SCHEMBL21491801 0.74 MAPT (0.46) MAPTLMNAGABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL21492539 0.73 MAPT (0.48) MAPTLMNAGABRA1GABRR1GABRA3
SCHEMBL27239000 0.73 KLKB1 (0.49) KLKB1KLK1

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 MAPT 3935/4885LMNA 753/4885GABRA1 3502/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPT 3935/4885LMNA 753/4885GABRA1 3502/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPT 3935/4885LMNA 753/4885GABRA1 3502/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPT 3935/4885LMNA 753/4885GABRA1 3502/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPT 3935/4885LMNA 753/4885GABRA1 3502/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPT 3935/4885LMNA 753/4885GABRA1 3502/4885

“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.