SCHEMBL18114149

SCHEMBL18114149

Nc1nc(-c2ccc3c(c2)CCC(=O)N3)co1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ NPC1 O15118 2/20 0.55
▸ MMP12 P39900 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KIF11 P52732 2/20 0.52
▸ PDE3B Q13370 4/20 0.49
▸ PDE3A Q14432 4/20 0.49
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ TBXAS1 P24557 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2B6 P20813 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
SCHEMBL5068409 0.77 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21799330 0.76 MAPT (0.97) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6200142 0.76 MAPT (0.49) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL4594845 0.74 KIF11 (0.68) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18198323 0.71 ALDH1A1 (0.56) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL26613494 0.71 MAPT (0.56) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL7314031 0.71 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL8525270 0.71 SMN1; SMN2 (0.70) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18114131 0.71 MAPT (0.56) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL25857004 0.71 MAPT (0.46) MAPTALDH1A1POLBHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277678-B1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO INC (US) 2020-03-18 — — EP disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 — — US disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 — — US disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 — — US disclosed
EP-3277678-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NantBioScience, Inc. (US) 2018-02-07 — — EP disclosed
WO-2016161361-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIOSCIENCE, INC. (US) 2016-10-06 — — WO disclosed
WO-2016161361-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIOSCIENCE, INC. (US) 2016-10-06 — — WO 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-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS MAPT 4029/4885ALDH1A1 4472/4885POLB 2312/4885

“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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