SCHEMBL17857758

SCHEMBL17857758

c1cnc2c(C3CCNCC3)n[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 5/20 0.37
▸ MKNK2 Q9HBH9 5/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL17837823 0.98 MKNK1 (0.36) MKNK1MKNK2ROCK2ROCK1JAK2
SCHEMBL30592263 0.89 GRM4 (0.36) CYP1A2GRM4
SCHEMBL17857651 0.76 HTR1A (0.40) MKNK1MKNK2ROCK2ROCK1JAK2
Hydrochloric Acid SCHEMBL17837407 0.74 HTR1A (0.40) MKNK1MKNK2ROCK2ROCK1JAK2
Hydrochloric Acid SCHEMBL17837567 0.74 HTR1A (0.40) MKNK1MKNK2ROCK2ROCK1JAK2
SCHEMBL17861732 0.73 MKNK1 (0.41) MKNK1MKNK2ROCK2ROCK1HTR1A
Hydrochloric Acid SCHEMBL17838044 0.72 MKNK1 (0.41) MKNK1MKNK2ROCK2ROCK1HTR1A
SCHEMBL17837929 0.70 FYN (0.45) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17837514 0.69 HTR1F (0.46) HRH3HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17861730 0.69 JAK2 (0.36) MKNK1MKNK2ROCK2ROCK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 — — EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — 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 (1 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK MKNK1 318/4885MKNK2 279/4885ROCK2 508/4885

“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.

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