SCHEMBL5489768

SCHEMBL5489768

Nc1ccc2cnccn12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 3/20 0.31
BRAF P15056 1/20 0.31
MEN1 O00255 1/20 0.31
PSIP1 O75475 1/20 0.31
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL19154274 0.74 PRKCI (0.34) MAPTLMNACYP3A4GAABRAF
SCHEMBL8829293 0.74 GAA (0.37) MAPTCYP3A4GAABRAFMEN1
SCHEMBL8829169 0.74 GAA (0.37) MAPTCYP3A4GAACYP2A6KDM4E
SCHEMBL21388621 0.74 CA12 (0.30)
SCHEMBL31565029 0.71 SIRT3 (0.39) MAPTGAAMEN1MKNK1MKNK2
SCHEMBL5493382 0.70 HSP90AA1 (0.34) MAPTLMNAHSP90AA1
SCHEMBL18237697 0.69 IDO1 (0.32) MAPTGAAMEN1KDM4E
SCHEMBL20689845 0.69 SSTR4 (0.32)
SCHEMBL3157214 0.69 TBXAS1 (0.35) MAPTGAAMKNK1MKNK2KDM4E
SCHEMBL3142316 0.69 CYP2A6 (0.36) CYP3A4CYP2C9CYP2C19CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2021-09-23 US claimed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 US disclosed
US-5041442-A Antiulcer agents SYNTEX (U.S.A.) INC. (US) 1991-08-20 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-20210292332-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 MAPT 4801/4885LMNA 2415/4885CYP3A4 1120/4885
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP MAPT 874/4885LMNA 248/4885CYP3A4 849/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 MAPT 623/4885LMNA 2647/4885CYP3A4 4689/4885

“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.