SCHEMBL138658

SCHEMBL138658

c1cn(-c2ccc(N3CCCCC3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ENPP2 Q13822 1/20 0.56
▸ MKNK1 Q9BUB5 1/20 0.56
▸ MKNK2 Q9HBH9 1/20 0.56
▸ NOTUM Q6P988 1/20 0.56
▸ CYP3A4 P08684 5/20 0.55
▸ CHKA P35790 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ BAZ2B Q9UIF8 1/20 0.49
▸ HTR2A P28223 1/20 0.47

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
SCHEMBL3933934 0.82 ADRB2 (0.59) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL11072227 0.82 ENPP2 (0.79) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL10511405 0.82 HRH4 (0.56) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL2532397 0.82 LMNA (0.78) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL11366419 0.81 LMNA (0.51) MAPTLMNAENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.80 LMNA (0.75) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL11074729 0.78 CYP11B1 (0.61) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL17916879 0.78 HRH3 (0.68) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL5098007 0.78 MAPT (0.62) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL10512517 0.78 DRD2 (0.50) MAPTLMNAENPP2MKNK1MKNK2

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
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 — — WO claimed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 — — US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 — — US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 — — US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 — — US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 — — 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP MAPT 13/4885LMNA 3452/4885ENPP2 3814/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP MAPT 37/4885LMNA 2031/4885ENPP2 687/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP MAPT 37/4885LMNA 2031/4885ENPP2 687/4885

“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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