SCHEMBL4374043

SCHEMBL4374043

CCCCCc1nc(N)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
GPR84 Q9NQS5 5/20 0.40
KCNH2 Q12809 1/20 0.37

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
SCHEMBL16897951 0.94 NOS2 (0.42) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1396274 0.86
Pyridine SCHEMBL27530794 0.83 HRH3 (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29794154 0.81 ALDH1A1 (0.43) ALDH1A1PKM
SCHEMBL5897906 0.78 ALDH1A1 (0.43) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL1063754 0.78 KCNH2 (0.47) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29794166 0.78 ALDH1A1 (0.48) ALDH1A1PKM
SCHEMBL652358 0.78 ALDH1A1 (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1199229 0.77
SCHEMBL24880067 0.77 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC (US) 2004-05-13 US disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US disclosed
US-5958933-A HAVING A GUANIDINO GROUP ALIPHATICALLY LINKED TO A XANTHINE GROUP, ADRENERGIC STIMULANTS NAFTCHI N ERIC (US) 1999-09-28 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R PI4KA 2850/4885PI4K2B 2927/4885PI4K2A 2673/4885
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities ACHE, GRIN2A, GRIK2 PI4KA 1990/4885PI4K2B 2388/4885PI4K2A 2085/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 PI4KA 3593/4885PI4K2B 4092/4885PI4K2A 3743/4885

“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.