SCHEMBL16444835

SCHEMBL16444835

Cc1cc(Nc2cccc(F)n2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.54
▸ DHODH Q02127 1/20 0.49
▸ AURKA O14965 6/20 0.46
▸ AURKB Q96GD4 5/20 0.46
▸ NTRK1 P04629 5/20 0.45
▸ GSK3B P49841 3/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ EIF2AK2 P19525 1/20 0.45
▸ PLK4 O00444 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ JAK2 O60674 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C8 P10632 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL1704457 0.78 ITK (0.55) ITKAURKAAURKBSRC
SCHEMBL3532347 0.76 ITK (0.50) ITKDHODHAURKAAURKBNTRK1
SCHEMBL3529643 0.76 ITK (0.50) ITKDHODHAURKAAURKBGSK3B
SCHEMBL24742377 0.76 ITK (0.50) ITKDHODHAURKAAURKBNTRK1
SCHEMBL13072363 0.76 ITK (0.50) ITKDHODHAURKAAURKBNTRK1
SCHEMBL902289 0.74 ITK (0.54) ITKDHODHAURKAAURKBGSK3B
SCHEMBL30377282 0.73 MEN1 (0.48) ITKDHODHAURKAAURKBNTRK1
SCHEMBL30230471 0.73 ITK (0.65) ITKDHODHAURKAAURKBGSK3B
SCHEMBL18154707 0.73 ITK (0.65) ITKDHODHAURKAAURKBGSK3B
SCHEMBL18297117 0.73 JAK2 (0.46) ITKDHODHAURKAAURKBNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092556-B2 Piperidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-10-09 — — US disclosed
US-20160228427-A1 NOVEL PIPERIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-9346787-B2 Piperidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-05-24 — — US disclosed
US-20150045342-A1 NOVEL PIPERIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-02-12 — — 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 (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-10092556-B2 Piperidine compound or salt thereof TUBB6, KIF5A, TUBB3 ITK 3693/4885DHODH 2860/4885AURKA 7/4885
US-20150045342-A1 NOVEL PIPERIDINE COMPOUND OR SALT THEREOF KIF5A, TUBB6, AURKC ITK 3880/4885DHODH 2944/4885AURKA 5/4885
US-20160228427-A1 NOVEL PIPERIDINE COMPOUND OR SALT THEREOF KIF5A, TUBB6, AURKC ITK 3880/4885DHODH 2944/4885AURKA 5/4885

“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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