SCHEMBL14353427

SCHEMBL14353427

Cc1cc(N)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.62
▸ CYP2C19 P33261 3/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ LMNA P02545 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 2/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ SLC34A1 Q06495 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ AR P10275 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL378335 0.83 SLC34A1 (0.57) LMNAALDH1A1RAB9ASLC34A1MAPT
SCHEMBL3829511 0.83 ALDH1A1 (0.65) CYP1A2CYP2C19MAPK1LMNAALDH1A1
SCHEMBL31522203 0.81 SLC34A1 (0.47) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL29083293 0.81 XDH (0.42) CYP1A2CYP2C19MAPK1LMNAMEN1
SCHEMBL8864119 0.80 CYP1A2 (0.72) CYP1A2CYP2C19MAPK1LMNAALDH1A1
SCHEMBL224624 0.80 CYP1A2 (0.72) CYP1A2CYP2C19MAPK1LMNAALDH1A1
SCHEMBL1012589 0.80 NTRK1 (0.43) CYP1A2CYP2C19MAPK1LMNAMEN1
SCHEMBL20413703 0.77 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAALDH1A1
SCHEMBL6284416 0.77 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAALDH1A1
SCHEMBL11689824 0.77 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAALDH1A1

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
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 — — US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 — — EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 — — US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 — — US disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 — — WO disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — 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 (4 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-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 CYP1A2 4134/4885CYP2C19 4372/4885MAPK1 2633/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CYP1A2 4720/4885CYP2C19 4798/4885MAPK1 1095/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885

“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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