SCHEMBL16795280

SCHEMBL16795280

N=C(N)c1cnn2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 5/20 0.48
RIPK2 O43353 1/20 0.48
LCK P06239 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KLF5 Q13887 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL18302136 0.98 EPHB3 (0.47) EPHB3RIPK2LCKALDH1A1KDM4E
Hypochlorous Acid SCHEMBL20240125 0.97 EPHB3 (0.49) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL11300658 0.82 EPHB3 (0.55) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL956445 0.82 EPHB3 (0.48) EPHB3RIPK2LCKALDH1A1KDM4E
Carbamic Acid SCHEMBL16050080 0.77 NPC1 (0.53) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL416200 0.76 EPHB3 (0.56) EPHB3RIPK2LCKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL19119427 0.75 EPHB3 (0.55) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL1044120 0.75 EPHB3 (0.58) EPHB3RIPK2LCKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30152645 0.75 EPHB3 (0.55) EPHB3RIPK2LCKALDH1A1KDM4E
SCHEMBL1286674 0.75 NPC1 (0.68) EPHB3RIPK2LCKALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN claimed
US-20260049077-A1 Neurotrophic Receptor Tyrosine Kinase (NTRK) Inhibitors and Methods Using Same BAYLOR COLLEGE MEDICINE (US) 2026-02-19 US disclosed
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN disclosed
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2020-09-01 US disclosed
US-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2018-06-14 US disclosed
EP-3307272-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS Almirall, S.A. (ES) 2018-04-18 EP disclosed
WO-2016198663-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2016-12-15 WO disclosed
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO 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 (3 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-20180162856-A1 2-(PYRAZOLOPYRIDIN-3-YL)PYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK2, JAK3, JAK1 EPHB3 2779/4885RIPK2 225/4885LCK 52/4885
US-10759793-B2 2-(pyrazolopyridin-3-yl)pyrimidine derivatives as JAK inhibitors JAK2, JAK3, JAK1 EPHB3 2779/4885RIPK2 225/4885LCK 52/4885
US-20260049077-A1 Neurotrophic Receptor Tyrosine Kinase (NTRK) Inhibitors and Methods Using Same NTRK2, NTRK3, NTRK1 EPHB3 66/4885RIPK2 1204/4885LCK 378/4885

“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.