SCHEMBL17837806

SCHEMBL17837806

c1ncc2c(C3CCNCC3)n[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ROCK2 O75116 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ CDC42BPB Q9Y5S2 2/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 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
Hydrochloric Acid SCHEMBL17837499 0.98 CYP1A2 (0.36) HRH3CYP1A2USP2ALDH1A1HSD17B10
SCHEMBL4931444 0.90 HPGDS (0.35) CYP1A2RPS6KA5
SCHEMBL29900903 0.77 MKNK1 (0.40) ROCK2ROCK1MKNK1MKNK2
SCHEMBL17857651 0.75 HTR1A (0.40) CYP1A2USP2ALDH1A1HSD17B10ALOX15
Hydrochloric Acid SCHEMBL29900911 0.75 DDB1 (0.37) CYP3A4ROCK2ROCK1DDB1CRBN
Hydrochloric Acid SCHEMBL17837567 0.74 HTR1A (0.40) CYP1A2USP2ALDH1A1HSD17B10ALOX15
Hydrochloric Acid SCHEMBL17837407 0.74 HTR1A (0.40) CYP1A2USP2ALDH1A1HSD17B10ALOX15
SCHEMBL17861731 0.74 RPS6KA5 (0.36) ALDH1A1RPS6KA5
SCHEMBL27096911 0.71 CHEK1 (0.35) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL17857758 0.69 MKNK1 (0.37) HRH3CYP1A2ROCK2ROCK1JAK2

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 10 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
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 — — EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 — — 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
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
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 HRH3 3224/4885CYP1A2 4233/4885USP2 2207/4885

“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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